UCSF

ZINC52503239

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: N-[[2-[(cyclopropylamino)methyl]thiazol-4-yl]methyl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[[2-[(cyclopropylamino)methyl]…

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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) 1.72 7.41 -80.93 3 4 2 37 312.527 10 ↓
Hi High (pH 8-9.5) 1.72 3.65 -3.34 1 4 0 31 310.511 10 ↓
Hi High (pH 8-9.5) 1.72 8.09 -101.79 3 4 2 34 312.527 10 ↓
Hi High (pH 8-9.5) 1.72 5.67 -35.76 2 4 1 33 311.519 10 ↓

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

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