UCSF

ZINC65535085

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: methyl 2-(2-amino-3-cyano-4-{4-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate methyl 2-(2-amino-3-cyano-4-{4-n…

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Other Names:

MFCD01305075

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) 1.87 7.52 -95.97 4 5 2 69 313.449 4 ↓
Mid Mid (pH 6-8) 1.87 7.13 -48.04 3 5 1 67 312.441 4 ↓
Mid Mid (pH 6-8) 1.87 7.54 -101.24 4 5 2 69 313.449 4 ↓

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

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