In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 45 | No |
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) | 5.12 | 15.14 | -46.26 | 4 | 10 | 1 | 123 | 624.847 | 12 | ↓ |
Mid Mid (pH 6-8) | 5.12 | 10.85 | -14.48 | 3 | 10 | 0 | 122 | 623.839 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.