In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 15 | 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 | 6.37 | -105.29 | 4 | 2 | 2 | 32 | 216.413 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 6.14 | -27.85 | 3 | 2 | 1 | 30 | 215.405 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 5.21 | -42.01 | 3 | 2 | 1 | 31 | 215.405 | 8 | ↓ |