In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 45 | No |
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) | 10.45 | 32.91 | -118.11 | 2 | 2 | 2 | 9 | 637.223 | 39 | ↓ |
Mid Mid (pH 6-8) | 10.45 | 30.74 | -33.7 | 1 | 2 | 1 | 8 | 636.215 | 39 | ↓ |
Mid Mid (pH 6-8) | 10.45 | 31.22 | -33.54 | 1 | 2 | 1 | 8 | 636.215 | 39 | ↓ |