In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 10 | 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) | -1.40 | 2.99 | -44.16 | 3 | 3 | 1 | 45 | 140.21 | 2 | ↓ |
Mid Mid (pH 6-8) | -1.40 | 3.46 | -94.67 | 4 | 3 | 2 | 47 | 141.218 | 2 | ↓ |