In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 35 | 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) | 4.73 | 6.76 | -16.13 | 3 | 8 | 0 | 108 | 499.995 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.73 | 7.53 | -53.11 | 2 | 8 | -1 | 111 | 498.987 | 10 | ↓ |