UCSF

ZINC09461924

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

Popular Name: 5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methylisoxazol-3-yl)-5H-pyrrol- 5-(4-ethoxy-3-methoxy-phenyl)-3-…

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) 3.72 11.66 -61.24 0 9 -1 114 491.52 9 ↓
Mid Mid (pH 6-8) 4.17 9.87 -27.06 1 9 0 111 492.528 8 ↓
Mid Mid (pH 6-8) 3.14 10.89 -16.84 0 9 0 108 492.528 9 ↓

Activity (Go SEA)

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