In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 14 | 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) | 0.80 | 4.57 | -35.65 | 1 | 3 | 1 | 25 | 197.302 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 2.19 | -5.85 | 0 | 3 | 0 | 24 | 196.294 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 4.25 | -31.92 | 1 | 3 | 1 | 25 | 197.302 | 1 | ↓ |