UCSF

ZINC55073618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 Yes

Popular Name: 3-[[(1-allyl-3-methyl-pyrazol-4-yl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one 3-[[(1-allyl-3-methyl-pyrazol-4-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 1.43 7.13 -52.17 3 5 1 67 327.383 6 ↓
Mid Mid (pH 6-8) 1.43 5.76 -13.26 2 5 0 63 326.375 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.