UCSF

ZINC20310120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-4-(2-hydroxy-4-methoxy-benzoyl)-5-(2-methoxyphenyl)-5H-pyrrol (5S)-1-(2-diethylaminoethyl)-3-h…

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) 3.14 7.57 -80.56 2 8 0 104 454.523 10 ↓
Hi High (pH 8-9.5) 3.14 8.59 -143.27 1 8 -1 106 453.515 10 ↓
Hi High (pH 8-9.5) 3.14 6.26 -140.15 0 8 -2 105 452.507 10 ↓

Activity (Go SEA)

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