UCSF

ZINC22777911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 Yes

Popular Name: [4-(3-thienylmethyl)piperazin-1-yl]methylBLAHone [4-(3-thienylmethyl)piperazin-1-…

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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) 3.71 10.15 -45.41 1 4 1 30 364.494 4 ↓
Mid Mid (pH 6-8) 3.71 7.77 -11.75 0 4 0 28 363.486 4 ↓

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Rings

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

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