In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 14 | 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) | -0.61 | 1.53 | -43.28 | 6 | 7 | 1 | 121 | 192.206 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.63 | 1.38 | -11.52 | 6 | 7 | 0 | 122 | 191.198 | 1 | ↓ |