UCSF

ZINC19790721

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 20 Yes

Popular Name: (2R)-1-(4-chlorophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol (2R)-1-(4-chlorophenoxy)-3-(4-et…

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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) 2.33 4.46 -36.67 2 4 1 37 299.822 6 ↓
Mid Mid (pH 6-8) 2.33 2.18 -5.97 1 4 0 36 298.814 6 ↓

Activity (Go SEA)

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