UCSF

ZINC20766564

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 33 Yes

Popular Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-[2-[(4-chlorophenyl)amino]-2-oxo-ethyl]piperazin-1-yl]acetamid N-(5-acetamido-2-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) 2.80 -1.74 -22.5 3 9 0 110 473.961 8 ↓
Mid Mid (pH 6-8) 2.46 3.17 -18.26 3 9 0 103 473.961 8 ↓
Mid Mid (pH 6-8) 2.46 5.38 -52.34 4 9 1 104 474.969 8 ↓
Lo Low (pH 4.5-6) 2.80 0.46 -53.31 4 9 1 111 474.969 8 ↓
Lo Low (pH 4.5-6) 2.46 5.38 -51.33 4 9 1 104 474.969 8 ↓

Activity (Go SEA)

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