UCSF

ZINC39127746

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 31 Yes

Popular Name: Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-4-[[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]methyl]- Benzenesulfonamide, N,N-bis(2-hy…

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CAS Number: 692721-83-8

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) 2.69 0.54 -16.23 4 8 0 123 465.597 9 ↓
Lo Low (pH 4.5-6) 2.69 0.93 -41.55 5 8 1 124 466.605 9 ↓

Activity (Go SEA)

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