UCSF

ZINC09046683

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 No

Popular Name: 5-(3-bromophenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-propoxyphenyl)-methylene]-pyrrolidine-2,3-d 5-(3-bromophenyl)-1-(2-dimethyla…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 4.13 11.61 -70.2 1 6 0 74 487.394 9 ↓
Hi High (pH 8-9.5) 4.13 9.07 -53.75 0 6 -1 73 486.386 9 ↓
Mid Mid (pH 6-8) 3.55 11.32 -48.47 1 6 1 68 488.402 9 ↓
Mid Mid (pH 6-8) 4.57 11.35 -44.75 2 6 1 71 488.402 8 ↓

Activity (Go SEA)

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