In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 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) | 4.15 | 8.24 | -8.81 | 1 | 7 | 0 | 72 | 439.535 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.15 | 10.51 | -44.73 | 2 | 7 | 1 | 73 | 440.543 | 7 | ↓ |