UCSF

ZINC49238050

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 Yes

Popular Name: N-(4-isopropylthiazol-2-yl)piperazine-1-sulfonamide N-(4-isopropylthiazol-2-yl)piper…

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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) 1.73 1.9 -51.26 3 6 1 82 291.422 3 ↓
Hi High (pH 8-9.5) 0.80 -0.02 -44.48 1 6 -1 76 289.406 4 ↓
Mid Mid (pH 6-8) 1.73 0.64 -13.08 2 6 0 78 290.414 3 ↓
Mid Mid (pH 6-8) 0.80 1.25 -61.07 2 6 0 81 290.414 4 ↓

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

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