In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 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) | 0.64 | 3.2 | -53.08 | 3 | 4 | 1 | 55 | 243.233 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 1.85 | -10.48 | 2 | 4 | 0 | 50 | 242.225 | 2 | ↓ |