UCSF

ZINC08586576

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 33 Yes

Popular Name: 5-methyl-9-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-8-(p-tolyl)-3,5,7-triazabicyclo[4.3.0]n 5-methyl-9-(1-methyl-2,4-dioxo-6…

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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) 2.20 5.69 -62.14 2 10 -1 134 443.443 3 ↓
Mid Mid (pH 6-8) 2.65 3.01 -135.69 1 10 -2 137 442.435 3 ↓
Mid Mid (pH 6-8) 1.74 8.42 -17.33 3 10 0 130 444.451 3 ↓

Activity (Go SEA)

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