UCSF

ZINC62314636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 26 Yes

Popular Name: (E)-3-(4-methoxyphenyl)-1-[(3S,5S)-4-(3-methoxypropyl)-3,5-dimethyl-piperazin-1-yl]but-2-en-1-one (E)-3-(4-methoxyphenyl)-1-[(3S,5…

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) 2.76 7.39 -7.85 0 5 0 42 360.498 7 ↓
Mid Mid (pH 6-8) 2.76 9.41 -41 1 5 1 43 361.506 7 ↓

Activity (Go SEA)

Rings

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

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