| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 32 | Yes |
| 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) | 3.75 | 11.13 | -102.73 | 3 | 5 | 2 | 55 | 428.58 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 9.73 | -31.19 | 2 | 5 | 1 | 53 | 427.572 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 12 | -84.23 | 3 | 5 | 2 | 55 | 428.58 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.75 | 13.12 | -192.46 | 4 | 5 | 3 | 56 | 429.588 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
