In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 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) | 1.58 | 1.62 | -46.22 | 4 | 4 | 1 | 74 | 243.352 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 1.24 | -8.85 | 3 | 4 | 0 | 72 | 242.344 | 6 | ↓ |