In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 5.22 | 12.58 | -54.08 | 2 | 5 | 1 | 58 | 463.504 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.22 | 13.14 | -33.72 | 1 | 5 | 0 | 61 | 462.496 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.22 | 10.32 | -10.34 | 1 | 5 | 0 | 57 | 462.496 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.22 | 10.91 | -40.35 | 0 | 5 | -1 | 60 | 461.488 | 4 | ↓ |