In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 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) | 2.21 | 9.5 | -16.43 | 1 | 7 | 0 | 80 | 407.518 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 10.05 | -35.91 | 2 | 7 | 1 | 81 | 408.526 | 7 | ↓ |