In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 15 | 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) | 1.21 | 2.95 | -42.44 | 4 | 3 | 1 | 57 | 227.715 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 2.6 | -7.04 | 3 | 3 | 0 | 55 | 226.707 | 4 | ↓ |