| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 25 | No |
Popular Name: (2S)-2-[[3-[(1H-imidazol-4-ylmethylamino)methyl]benzoyl]amino]-4-methylsulfanyl-butanoic (2S)-2-[[3-[(1H-imidazol-4-ylmet…
None
| 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) | -1.14 | 8.02 | -78.84 | 4 | 7 | 0 | 115 | 362.455 | 10 | ↓ |
| Hi High (pH 8-9.5) | -1.13 | 5.57 | -63.2 | 3 | 7 | -1 | 110 | 361.447 | 10 | ↓ |
| Mid Mid (pH 6-8) | -1.14 | 7.2 | -78.73 | 4 | 7 | 0 | 111 | 362.455 | 10 | ↓ |
| Mid Mid (pH 6-8) | -1.14 | 8.05 | -88.85 | 4 | 7 | 0 | 115 | 362.455 | 10 | ↓ |
| Lo Low (pH 4.5-6) | -1.13 | 7.44 | -146 | 5 | 7 | 1 | 116 | 363.463 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5534537; US5578629 | IBM Patent Data |
