UCSF

ZINC52410267

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 23 Yes

Popular Name: 4-[4-(3-thienylmethyl)piperazine-1-carbonyl]piperidine-1-carboxamide 4-[4-(3-thienylmethyl)piperazine…

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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) 0.62 3.1 -15.36 2 6 0 70 336.461 3 ↓
Mid Mid (pH 6-8) 0.62 5.32 -56.52 3 6 1 71 337.469 3 ↓

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Rings

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

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