UCSF

ZINC49604954

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 43 No

Popular Name: 7-hydroxy-N-[(1S)-2-methyl-1-phenyl-propyl]-2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinolin 7-hydroxy-N-[(1S)-2-methyl-1-phe…

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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) 6.52 15.69 -105.33 4 6 2 71 578.801 8 ↓
Hi High (pH 8-9.5) 6.52 14.99 -73.79 2 6 0 73 576.785 8 ↓
Mid Mid (pH 6-8) 6.52 14.23 -39.17 3 6 1 70 577.793 8 ↓

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