UCSF

ZINC66167374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 27 No

Popular Name: (1Z)-4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethylphenyl)piperazine-1-carboximidothioic (1Z)-4-(1,3-benzodioxol-5-ylmeth…

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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) 0.06 11.5 -59.59 2 5 1 38 384.525 4 ↓
Hi High (pH 8-9.5) 0.06 9.29 -14.42 1 5 0 37 383.517 4 ↓

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

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