UCSF

ZINC09272775

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 37 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2 3-hydroxy-4-(4-isobutoxy-3-methy…

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 9.43 -46.3 0 9 -1 107 512.579 12 ↓
Mid Mid (pH 6-8) 2.97 1.19 -25.32 0 9 0 100 513.587 12 ↓
Mid Mid (pH 6-8) 4.00 7.96 -31.46 1 9 0 104 513.587 11 ↓

Activity (Go SEA)

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