In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 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) | 1.87 | 3.14 | -14.83 | 1 | 4 | 0 | 60 | 206.197 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 3.93 | -40.99 | 0 | 4 | -1 | 63 | 205.189 | 1 | ↓ |