In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 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) | 3.89 | 8.05 | -39.62 | 3 | 2 | 1 | 37 | 282.407 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.89 | 7.41 | -4.68 | 2 | 2 | 0 | 32 | 281.399 | 4 | ↓ |