UCSF

ZINC63007118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 Yes

Popular Name: (4-amino-3,5-difluoro-phenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (4-amino-3,5-difluoro-phenyl)-[4…

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) 1.33 6.51 -44.8 3 4 1 51 296.341 3 ↓
Mid Mid (pH 6-8) 1.33 4.3 -6.59 2 4 0 50 295.333 3 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.