In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2008 | 36 | 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) | 1.16 | 5.36 | -27.42 | 4 | 12 | 0 | 177 | 493.476 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 4.9 | -59.44 | 5 | 12 | 1 | 181 | 494.484 | 6 | ↓ |