In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 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) | 4.10 | 10.17 | -9.49 | 2 | 6 | 0 | 52 | 426.568 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 12.23 | -35.09 | 3 | 6 | 1 | 53 | 427.576 | 4 | ↓ |