| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2010 | 18 | No |
Popular Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-benzyl-propanamide (2S)-2-[[(2R)-2-amino-3-sulfanyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.12 | 2.91 | -124.93 | 6 | 4 | 2 | 73 | 269.414 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 1.18 | -7.19 | 4 | 4 | 0 | 67 | 267.398 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 2.3 | -34.31 | 5 | 4 | 0 | 69 | 267.398 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 2.6 | -44.35 | 5 | 4 | 1 | 72 | 268.406 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 1.76 | -39.69 | 5 | 4 | 1 | 69 | 268.406 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTA-1-E | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2000 | 0.44 | Binding ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2000 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTB_BOVIN | P49355 | Protein Farnesyltransferase Beta Subunit, Bovin | 2000 | 0.44 | Binding ≤ 10μM |
| FNTA_BOVIN | P29702 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin | 2000 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Inactivation, recovery and regulation of the phototransduction cascade |
