UCSF

ZINC13598866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 36 No

Popular Name: (5S)-5-(4-tert-butylphenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(2-morpholinoethyl)-5H-pyrrol (5S)-5-(4-tert-butylphenyl)-3-hy…

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) 4.39 9.42 -60.11 0 7 -1 82 491.608 8 ↓
Mid Mid (pH 6-8) 4.84 10.69 -61.07 2 7 1 81 493.624 7 ↓
Mid Mid (pH 6-8) 4.39 11.77 -75.78 1 7 0 83 492.616 8 ↓

Activity (Go SEA)

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