UCSF

ZINC70086052

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 19 Yes

Popular Name: 5-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-imidazole-4-sulfonamide 5-amino-N-(5,6-dihydro-4H-cyclop…

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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) 1.60 4.05 -38.35 4 7 1 107 300.389 2 ↓
Hi High (pH 8-9.5) 0.68 3.01 -51.35 2 7 -1 105 298.373 3 ↓
Mid Mid (pH 6-8) 0.68 2.69 -40.88 3 7 0 107 299.381 3 ↓
Mid Mid (pH 6-8) 1.60 3.24 -35.71 4 7 1 108 300.389 2 ↓
Mid Mid (pH 6-8) 0.68 3.51 -52.02 3 7 0 106 299.381 3 ↓
Lo Low (pH 4.5-6) 1.60 3.55 -15.42 3 7 0 106 299.381 2 ↓

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

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