UCSF

ZINC35626984

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 33 Yes

Popular Name: 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfon 4-(4,4-dimethyl-1,1,3-trioxo-1,2…

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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) 2.52 5.38 -55.27 2 9 1 108 493.631 5 ↓
Hi High (pH 8-9.5) 2.52 3.12 -59.63 0 9 -1 109 491.615 5 ↓
Mid Mid (pH 6-8) 2.52 5.49 -79.45 1 9 0 110 492.623 5 ↓
Mid Mid (pH 6-8) 2.52 3.01 -20.03 1 9 0 107 492.623 5 ↓

Activity (Go SEA)

Rings

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

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