In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 16 | 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) | 2.53 | 7.66 | -43.1 | 1 | 4 | 0 | 58 | 222.288 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 7.37 | -50.97 | 0 | 4 | -1 | 56 | 221.28 | 6 | ↓ |