UCSF

ZINC13657989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 17 No

Popular Name: methyl 2-acetyl-3-amino-3-(2-chlorophenyl)acrylate methyl 2-acetyl-3-amino-3-(2-chl…

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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
Mid Mid (pH 6-8) 2.59 4.66 -40.49 1 4 -1 73 252.677 4 ↓
Mid Mid (pH 6-8) 2.59 5.76 -45.3 1 4 -1 73 252.677 4 ↓
Mid Mid (pH 6-8) 2.59 4.75 -35.23 1 4 -1 73 252.677 4 ↓
Mid Mid (pH 6-8) 2.59 5.4 -47.82 1 4 -1 73 252.677 4 ↓

Activity (Go SEA)

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

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