In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2010 | 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) | 0.70 | 3.67 | -46.97 | 3 | 5 | 1 | 63 | 242.343 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.70 | 1.67 | -17.12 | 2 | 5 | 0 | 61 | 241.335 | 5 | ↓ |