In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 31 | 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) | 3.35 | 11.94 | -16.29 | 2 | 8 | 0 | 90 | 419.485 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 12.59 | -56.92 | 3 | 8 | 1 | 95 | 420.493 | 7 | ↓ |