UCSF

ZINC13552123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 36 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxybenzoyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-o (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) 2.85 9.36 -71.7 1 9 0 102 498.576 12 ↓
Hi High (pH 8-9.5) 2.85 7.11 -60.52 0 9 -1 101 497.568 12 ↓
Mid Mid (pH 6-8) 3.29 8.22 -59.23 2 9 1 99 499.584 11 ↓
Mid Mid (pH 6-8) 2.26 9.24 -62.91 1 9 1 96 499.584 12 ↓

Activity (Go SEA)

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