In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 22 | 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) | -1.05 | 4.17 | -62.24 | 4 | 7 | 1 | 95 | 306.39 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.05 | 4.64 | -105.82 | 5 | 7 | 2 | 96 | 307.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.