UCSF

ZINC04163665

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 Yes

Popular Name: 6-benzo[1,3]dioxol-5-yl-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one 6-benzo[1,3]dioxol-5-yl-4-hydrox…

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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) 3.39 2.67 -13.62 3 7 0 97 422.359 4 ↓
Hi High (pH 8-9.5) 3.02 1.68 -23.09 3 7 0 105 422.359 4 ↓
Mid Mid (pH 6-8) 3.02 1.13 -38.83 4 7 1 102 423.367 4 ↓

Activity (Go SEA)

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