In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 32 | 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) | 3.63 | 6.68 | -15.41 | 4 | 8 | 0 | 123 | 492.026 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.63 | 6.48 | -46.66 | 3 | 8 | -1 | 121 | 491.018 | 8 | ↓ |