In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 25 | 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) | 1.87 | 6.73 | -11 | 2 | 7 | 0 | 93 | 356.407 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 6.53 | -50.19 | 1 | 7 | -1 | 91 | 355.399 | 6 | ↓ |