In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 33 | No |
Popular Name: N-(o-tolylmethyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyridylmethyl)butanamide N-(o-tolylmethyl)-4-oxo-4-(5-phe…
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) | 3.15 | 13.83 | -15.36 | 0 | 6 | 0 | 66 | 440.547 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 14.28 | -40.26 | 1 | 6 | 1 | 67 | 441.555 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.