In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 29 | 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) | 0.76 | 3.06 | -49.95 | 3 | 7 | 1 | 78 | 421.587 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 5.49 | -103.84 | 4 | 7 | 2 | 80 | 422.595 | 4 | ↓ |