UCSF

ZINC04167457

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 32 No

Popular Name: amino-(4-ethoxy-3-methoxy-phenyl)-oxo-BLAHcarbonitrile amino-(4-ethoxy-3-methoxy-phenyl…

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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) 1.98 2.13 -17.23 4 9 0 135 429.436 4 ↓
Ref Reference (pH 7) 1.87 1.47 -19.43 3 9 0 131 429.436 4 ↓
Hi High (pH 8-9.5) 2.05 -0.44 -53.74 2 9 -1 138 428.428 4 ↓
Lo Low (pH 4.5-6) 1.98 2.39 -63.25 5 9 1 137 430.444 4 ↓

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

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