In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 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) | 5.02 | 13.67 | -17.77 | 0 | 5 | 0 | 47 | 407.558 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.02 | 14.11 | -32.48 | 1 | 5 | 1 | 49 | 408.566 | 7 | ↓ |