In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 13 | No |
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) | 1.88 | 6.59 | -7.29 | 0 | 2 | 0 | 18 | 190.271 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 7.06 | -46.21 | 0 | 2 | -1 | 18 | 189.263 | 2 | ↓ |