In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 16 | 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) | 1.74 | 5.67 | -40.31 | 3 | 4 | 1 | 59 | 222.312 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 5.18 | -13.1 | 2 | 4 | 0 | 58 | 221.304 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 5.2 | -13.75 | 2 | 4 | 0 | 58 | 221.304 | 4 | ↓ |