In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | 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) | 1.89 | 6.8 | -43.24 | 2 | 3 | 1 | 42 | 242.346 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 5.81 | -5.87 | 1 | 3 | 0 | 38 | 241.338 | 6 | ↓ |