UCSF

ZINC00541756

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

Popular Name: BRD-A08235418-001-01-5 BRD-A08235418-001-01-5

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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) 1.72 5.86 -22.68 2 7 0 89 326.143 2 ↓
Lo Low (pH 4.5-6) 1.90 6.55 -50.84 3 7 1 93 327.151 2 ↓

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Rings

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