UCSF

ZINC31570574

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 31 Yes

Popular Name: 4'-Chloro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)propiophenone dihydrochloride; LS-125104; Propiophenone, 4'-chloro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-, dihydrochloride 4'-Chloro-3-(4-(beta-(isopentylo…

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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) 5.55 13.75 -44.19 1 4 1 34 444.039 11 ↓
Mid Mid (pH 6-8) 5.55 11.45 -7.74 0 4 0 33 443.031 11 ↓
Mid Mid (pH 6-8) 5.55 13.71 -47.89 1 4 1 34 444.039 11 ↓

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

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