UCSF

ZINC65164745

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 28 Yes

Popular Name: 3-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-methyl-pyrrolo[2,3-b]pyridine 3-[2-[4-(2-chlorophenyl)sulfonyl…

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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) 2.90 7.7 -14.51 0 6 0 58 418.95 5 ↓
Mid Mid (pH 6-8) 2.90 9.91 -54.47 1 6 1 60 419.958 5 ↓

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

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