In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 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) | 2.44 | 2.43 | -11.19 | 3 | 4 | 0 | 72 | 242.344 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 2.47 | -42.17 | 2 | 4 | -1 | 74 | 241.336 | 5 | ↓ |