In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 21st, 2006 | 27 | 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) | 3.58 | 11.85 | -15.44 | 0 | 8 | 0 | 88 | 376.457 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 12.34 | -51.28 | 1 | 8 | 1 | 89 | 377.465 | 5 | ↓ |