In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 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) | 0.63 | 2.44 | -93.2 | 4 | 4 | 2 | 54 | 199.298 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.63 | 1.14 | -34.52 | 3 | 4 | 1 | 49 | 198.29 | 2 | ↓ |