UCSF

ZINC40116456

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1,2-dihydropyrrol (2S)-2-(3-bromo-4-hydroxy-5-meth…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.92 2.42 -52.67 2 7 -1 112 407.196 4 ↓
Hi High (pH 8-9.5) 1.92 3.33 -104.88 1 7 -2 115 406.188 4 ↓
Lo Low (pH 4.5-6) 1.92 1.53 -12.79 3 7 0 109 408.204 4 ↓

Activity (Go SEA)

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