UCSF

ZINC39228784

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 33 Yes

Popular Name: (1S,9aS)-1-(2-fluorophenyl)-2-[(4-phenylphenyl)methyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole (1S,9aS)-1-(2-fluorophenyl)-2-[(…

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) 7.26 14.37 -6.75 1 2 0 19 432.542 4 ↓
Mid Mid (pH 6-8) 7.26 16.49 -34.84 2 2 1 20 433.55 4 ↓

Activity (Go SEA)

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