UCSF

ZINC62967247

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: (3S)-N,N-diethyl-1-[5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[5-(methylami…

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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) 1.96 8.8 -111.73 3 5 2 42 309.483 6 ↓
Hi High (pH 8-9.5) 1.96 5.59 -8.54 1 5 0 36 307.467 6 ↓
Mid Mid (pH 6-8) 1.96 6.7 -44.43 2 5 1 40 308.475 6 ↓

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

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