In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 31 | 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) | 2.79 | 7.47 | -31.97 | 1 | 8 | 0 | 94 | 440.456 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 6.4 | -46.12 | 0 | 8 | -1 | 100 | 439.448 | 4 | ↓ |