UCSF

ZINC19808556

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 27 No

Popular Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide 4-(1,3-benzodioxol-5-ylmethyl)-N…

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Other Names:

MFCD03760090

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) 2.78 7.45 -15.8 1 6 0 46 385.489 6 ↓
Mid Mid (pH 6-8) 2.78 9.66 -60.83 2 6 1 47 386.497 6 ↓

Activity (Go SEA)

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