In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | 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) | 1.20 | 3.42 | -45.45 | 3 | 4 | 1 | 57 | 241.355 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 3.11 | -5.8 | 2 | 4 | 0 | 56 | 240.347 | 4 | ↓ |