UCSF

ZINC22749909

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 34 No

Popular Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanami N-[(S)-(4-chlorophenyl)-(1-methy…

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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) 3.71 13.25 -22.4 2 7 0 85 496.036 9 ↓
Mid Mid (pH 6-8) 4.44 12.83 -50.34 1 7 -1 82 495.028 9 ↓
Lo Low (pH 4.5-6) 3.71 13.68 -47.78 3 7 1 86 497.044 9 ↓

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

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