In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | Yes |
Popular Name: 4-amino-5-tert-butyl-2-(2,4-dimethylphenyl)-1-methyl-pyrazol-3-one 4-amino-5-tert-butyl-2-(2,4-dime…
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) | 3.57 | 7.32 | -13.59 | 2 | 4 | 0 | 53 | 273.38 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.57 | 7.16 | -39.42 | 3 | 4 | 1 | 55 | 274.388 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.