UCSF

ZINC20170986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 37 No

Popular Name: (5R)-4-(3,4-dimethoxybenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-5H-pyrr (5R)-4-(3,4-dimethoxybenzoyl)-1-…

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) 1.96 8.63 -74.42 1 10 0 111 514.575 12 ↓
Lo Low (pH 4.5-6) 1.96 7.82 -54.32 2 10 1 108 515.583 12 ↓

Activity (Go SEA)

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