UCSF

ZINC39326834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 No

Popular Name: (4R,8E)-2-amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylene]-4,5,6,7-tetrahydropyrano[3,2-c]pyri (4R,8E)-2-amino-4-(4-chloropheny…

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) 5.29 7.7 -7.68 3 4 0 71 410.304 2 ↓
Lo Low (pH 4.5-6) 5.29 9.09 -57.43 4 4 1 76 411.312 2 ↓

Activity (Go SEA)

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