In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 21 | 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) | 2.04 | 7.82 | -39.98 | 4 | 4 | 1 | 55 | 303.455 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 8.11 | -94.45 | 5 | 4 | 2 | 57 | 304.463 | 4 | ↓ |