UCSF

ZINC13548993

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 No

Popular Name: (4E,5R)-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)-hydroxy-methylene]pyrro (4E,5R)-5-(3,4-dimethoxyphenyl)-…

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) 2.22 8.76 -69.48 1 7 0 83 428.46 8 ↓
Hi High (pH 8-9.5) 2.22 6.21 -56.08 0 7 -1 82 427.452 8 ↓
Mid Mid (pH 6-8) 2.66 7.66 -50.56 2 7 1 81 429.468 7 ↓

Activity (Go SEA)

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