UCSF

ZINC09020085

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 39 No

Popular Name: 4-(4-benzyloxy-2-methyl-benzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrro 4-(4-benzyloxy-2-methyl-benzoyl)…

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) 4.41 12.29 -55.26 0 8 -1 97 530.597 12 ↓
Mid Mid (pH 6-8) 4.86 10.19 -22.21 1 8 0 95 531.605 11 ↓
Mid Mid (pH 6-8) 3.83 11.3 -18.98 0 8 0 91 531.605 12 ↓

Activity (Go SEA)

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