UCSF

ZINC33707676

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 Yes

Popular Name: 4-chloro-N-[2-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]thiazol-2-yl]amino]-2-oxo-ethyl]-N-(2-metho 4-chloro-N-[2-[[4-[2-(4-ethylpip…

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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) 1.83 7.74 -23.07 1 9 0 95 508.044 10 ↓
Hi High (pH 8-9.5) 1.65 6.66 -49.95 0 9 -1 101 507.036 10 ↓
Mid Mid (pH 6-8) 1.83 10.06 -61.36 2 9 1 96 509.052 10 ↓

Activity (Go SEA)

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