In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 31 | No |
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) | 4.35 | 11.68 | -50.89 | 2 | 5 | 1 | 55 | 429.556 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.35 | 9.41 | -11.61 | 1 | 5 | 0 | 54 | 428.548 | 11 | ↓ |