In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2009 | 21 | 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) | 1.83 | 8.55 | -41.5 | 2 | 4 | 1 | 48 | 286.399 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 7.25 | -7.55 | 1 | 4 | 0 | 43 | 285.391 | 4 | ↓ |