In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | 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) | 1.62 | 3.32 | -42.76 | 4 | 4 | 1 | 66 | 251.35 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 3.01 | -6.77 | 3 | 4 | 0 | 64 | 250.342 | 7 | ↓ |