In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 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) | 1.17 | 1.31 | -7.32 | 1 | 3 | 0 | 42 | 172.253 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 0.66 | -40 | 0 | 3 | -1 | 39 | 171.245 | 3 | ↓ |