In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 16 | 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) | 2.12 | 4.14 | -5.93 | 0 | 3 | 0 | 36 | 220.316 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 6.32 | -41.68 | 1 | 3 | 1 | 37 | 221.324 | 1 | ↓ |