In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 12 | 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) | 0.28 | 0.63 | -42.77 | 3 | 3 | 1 | 40 | 175.296 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.28 | 2.48 | -30.62 | 3 | 3 | 1 | 40 | 175.296 | 8 | ↓ |