UCSF

ZINC67244926

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 20 Yes

Popular Name: 6-[(4-methylpiperazin-1-yl)sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one 6-[(4-methylpiperazin-1-yl)sulfo…

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CAS Number: [1291839-84-3]

Other Names:

MFCD18788424

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) -0.43 0.28 -12.94 1 8 0 91 297.34 2 ↓
Mid Mid (pH 6-8) -0.43 2.64 -53.53 2 8 1 92 298.348 2 ↓

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

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