In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 20th, 2010 | 22 | 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) | 3.34 | 6.21 | -12.81 | 1 | 5 | 0 | 57 | 298.342 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 6.71 | -29.98 | 2 | 5 | 1 | 58 | 299.35 | 4 | ↓ |