In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 32 | 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) | 4.69 | 7.62 | -12.86 | 2 | 7 | 0 | 88 | 455.942 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.69 | 8.38 | -50.11 | 1 | 7 | -1 | 91 | 454.934 | 8 | ↓ |