In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2008 | 23 | No |
Popular Name: (4S)-4-[(4-dimethylaminophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one (4S)-4-[(4-dimethylaminophenyl)m…
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) | 3.79 | 9.76 | -13.37 | 0 | 4 | 0 | 36 | 307.397 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.79 | 10.54 | -24.58 | 1 | 4 | 0 | 37 | 308.405 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.79 | 10.6 | -24.79 | 1 | 4 | 0 | 37 | 308.405 | 4 | ↓ |