UCSF

ZINC39898297

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 Yes

Popular Name: (4R,6aS)-4-(4-allyloxy-3-ethoxy-phenyl)-3-(5-chloro-2-hydroxy-phenyl)-5-(3-methoxypropyl)-4,6a-dihyd (4R,6aS)-4-(4-allyloxy-3-ethoxy-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.32 9.09 -40.8 1 8 -1 100 496.971 11 ↓
Mid Mid (pH 6-8) 4.32 8.32 -16.61 2 8 0 97 497.979 11 ↓
Mid Mid (pH 6-8) 4.32 8.19 -14.86 2 8 0 97 497.979 11 ↓

Activity (Go SEA)

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