In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 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) | 2.31 | 9.05 | -16.83 | 1 | 7 | 0 | 80 | 393.491 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 9.41 | -35.04 | 2 | 7 | 1 | 81 | 394.499 | 8 | ↓ |