| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 12 | Yes |
Popular Name: penicillic acid penicillic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 17397-87-4
| 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) | 0.16 | 1.54 | -9.19 | 1 | 4 | 0 | 56 | 170.164 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 2.22 | -47.24 | 0 | 4 | -1 | 59 | 169.156 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024-3-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #3 Of 8), Other | Other | 5800 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 5800 | 0.61 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.