In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 30 | 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) | 4.19 | 7.36 | -12.72 | 2 | 6 | 0 | 78 | 429.879 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 8.13 | -48.95 | 1 | 6 | -1 | 81 | 428.871 | 6 | ↓ |