UCSF

ZINC06390628

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 28 Yes

Popular Name: 4-(10,10-dioxo-10$l^{6}-thia-7,9-diazabicyclo[4.4.0]deca-2,4,8,11-tetraen-8-yl)-3-methyl-N-[2-(p-tol 4-(10,10-dioxo-10$l^{6}-thia-7,9…

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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) 3.46 7.6 -34.85 2 6 0 88 399.516 7 ↓
Hi High (pH 8-9.5) 3.46 7.19 -50.64 1 6 -1 90 398.508 7 ↓

Activity (Go SEA)

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