In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 17 | 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) | 0.82 | 5.61 | -98.99 | 5 | 4 | 2 | 61 | 230.315 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 5.15 | -43.19 | 4 | 4 | 1 | 60 | 229.307 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.