UCSF

ZINC20280656

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 No

Popular Name: (5R)-5-(3,4-diethoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(thiophene-2-carbonyl)-5H-pyrrol-2 (5R)-5-(3,4-diethoxyphenyl)-1-(3…

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) 2.98 10.84 -86.72 1 7 0 83 458.58 11 ↓
Mid Mid (pH 6-8) 0.82 3.42 -7.43 0 6 0 55 337.445 3 ↓
Lo Low (pH 4.5-6) 2.98 9.88 -58.77 2 7 1 81 459.588 11 ↓

Activity (Go SEA)

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