UCSF

ZINC39827837

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 38 No

Popular Name: (2S)-3-(4-allyloxybenzoyl)-2-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-1-(2-morpholinoethyl)-2H-pyrrol-5 (2S)-3-(4-allyloxybenzoyl)-2-(4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.98 7.81 -59.39 0 9 -1 101 521.59 12 ↓
Mid Mid (pH 6-8) 2.98 10.08 -74.61 1 9 0 102 522.598 12 ↓
Lo Low (pH 4.5-6) 2.98 9.33 -58.02 2 9 1 99 523.606 12 ↓

Activity (Go SEA)

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