In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 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) | 1.36 | 3.76 | -42.3 | 3 | 3 | 1 | 40 | 251.394 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.36 | 4.75 | -38.04 | 3 | 3 | 1 | 37 | 251.394 | 10 | ↓ |