In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 32 | 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) | 5.44 | 7.6 | -12.63 | 2 | 7 | 0 | 79 | 438.572 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.44 | 9.88 | -48.41 | 3 | 7 | 1 | 80 | 439.58 | 7 | ↓ |