UCSF

ZINC40054581

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 38 No

Popular Name: (2S)-3-(3-allyloxybenzoyl)-2-(3-ethoxy-4-pentoxy-phenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-o (2S)-3-(3-allyloxybenzoyl)-2-(3-…

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) 4.66 10.04 -63.43 1 8 -1 108 522.618 16 ↓
Lo Low (pH 4.5-6) 4.66 9.28 -18.79 2 8 0 106 523.626 16 ↓

Activity (Go SEA)

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