In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 11 | No |
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) | 2.32 | 3.62 | -45.16 | 0 | 2 | -1 | 40 | 153.201 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 2.85 | -9.2 | 1 | 2 | 0 | 37 | 154.209 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 4.91 | -8.95 | 0 | 2 | 0 | 34 | 154.209 | 1 | ↓ |