UCSF

ZINC52472658

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

Popular Name: 3-chloro-5-[4-(cyclopropylmethyl)piperazin-1-yl]isothiazole-4-carbonitrile 3-chloro-5-[4-(cyclopropylmethyl…

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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) 2.54 7.67 -46.09 1 4 1 44 283.808 3 ↓
Mid Mid (pH 6-8) 2.54 5.48 -4.85 0 4 0 43 282.8 3 ↓

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

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