In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 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) | 0.96 | 1.31 | -10.95 | 1 | 3 | 0 | 42 | 172.253 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 0.52 | -41.26 | 0 | 3 | -1 | 39 | 171.245 | 3 | ↓ |