In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 9 | 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) | 0.60 | -0.25 | -36.65 | 4 | 3 | 1 | 60 | 131.199 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.60 | -1.47 | -9.43 | 3 | 3 | 0 | 55 | 130.191 | 4 | ↓ |