In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 11 | 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) | 0.40 | 0.6 | -105.68 | 6 | 2 | 2 | 55 | 156.204 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.40 | 0.21 | -47.9 | 5 | 2 | 1 | 54 | 155.196 | 2 | ↓ |