In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 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) | 2.54 | 9.05 | -56.79 | 1 | 3 | 1 | 25 | 373.567 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 6.69 | -13.14 | 0 | 3 | 0 | 24 | 372.559 | 2 | ↓ |