In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | No |
None
None
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) | 4.60 | 10.1 | -12.85 | 0 | 6 | 0 | 57 | 432.52 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 12.59 | -54.48 | 1 | 6 | 1 | 58 | 433.528 | 4 | ↓ |