UCSF

ZINC69772661

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-ethyl]amino]methyl]quinolin-2-ol 3-[[[(2R)-2-(2,4-difluorophenyl)…

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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) 1.72 3.8 -15.15 3 4 0 65 330.334 5 ↓
Mid Mid (pH 6-8) 1.72 5.18 -48.88 4 4 1 70 331.342 5 ↓

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

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