In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 18 | 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) | 4.41 | 7.53 | -37.78 | 2 | 2 | 1 | 25 | 268.808 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 8.28 | -50.9 | 1 | 2 | 0 | 27 | 267.8 | 4 | ↓ |