UCSF

ZINC13684937

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5S)-5-(3-chlorophenyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-5H-p (5S)-5-(3-chlorophenyl)-4-(2,4-d…

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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) 2.09 11.68 -69.96 1 7 0 92 456.955 7 ↓
Mid Mid (pH 6-8) 2.54 10.05 -30.73 1 7 0 88 456.955 6 ↓
Mid Mid (pH 6-8) 1.51 11.07 -22.85 0 7 0 85 456.955 7 ↓
Mid Mid (pH 6-8) 2.54 10.57 -58.77 2 7 1 90 457.963 6 ↓
Mid Mid (pH 6-8) 1.51 11.59 -55.59 1 7 1 86 457.963 7 ↓
Mid Mid (pH 6-8) 2.09 11.17 -58.25 0 7 -1 91 455.947 7 ↓

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

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