UCSF

ZINC04833747

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 29 Yes

Popular Name: 4-hydroxy-6-(4-methoxyphenyl)-5-(4-methylbenzoyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one 4-hydroxy-6-(4-methoxyphenyl)-5-…

Find On: PubMed — Wikipedia — Google

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) 3.55 3.31 -14.63 3 6 0 88 408.376 5 ↓
Hi High (pH 8-9.5) 3.18 2.31 -21.46 3 6 0 96 408.376 5 ↓
Mid Mid (pH 6-8) 3.18 1.76 -36.2 4 6 1 93 409.384 5 ↓

Activity (Go SEA)

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