UCSF

ZINC39899345

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 36 Yes

Popular Name: (4R,6aS)-4-(4-allyloxy-3-methoxy-phenyl)-3-(5-chloro-2-hydroxy-phenyl)-5-(3-isopropoxypropyl)-4,6a-d (4R,6aS)-4-(4-allyloxy-3-methoxy…

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) 4.68 9.26 -13.79 2 8 0 97 512.006 11 ↓
Mid Mid (pH 6-8) 4.68 10.03 -49.91 1 8 -1 100 510.998 11 ↓

Activity (Go SEA)

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