UCSF

ZINC33446048

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 32 No

Popular Name: (4E,5S)-4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-5-(2-methoxyphenyl)-1-(5-methylisoxazol-3- (4E,5S)-4-[(3-chloro-4-methoxy-p…

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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) 3.58 10.97 -43.02 0 8 -1 105 453.858 6 ↓
Lo Low (pH 4.5-6) 3.58 9.84 -21.94 1 8 0 102 454.866 6 ↓

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

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