UCSF

ZINC60494561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 22 Yes

Popular Name: 3-[4-(2-methylallyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine 3-[4-(2-methylallyl)piperazin-1-…

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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) 1.58 3.07 -11.73 1 6 0 69 320.418 4 ↓
Mid Mid (pH 6-8) 1.58 5.26 -47.03 2 6 1 70 321.426 4 ↓

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

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