UCSF

ZINC13676735

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 36 No

Popular Name: (E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]amino]butyl]-3-(3-hydroxy- (E)-2-cyano-N-[4-[[(E)-2-cyano-3…

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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) 1.89 3.5 -22.53 4 10 0 165 490.516 11 ↓
Hi High (pH 8-9.5) 1.89 4.43 -65.67 3 10 -1 168 489.508 11 ↓

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

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