UCSF

ZINC69779162

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: [4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-1-methylpyrrolidin-2-yl]methanone [4-[(2-ethylthiazol-4-yl)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) 1.10 9.44 -89.01 2 5 2 42 338.521 4 ↓
Hi High (pH 8-9.5) 1.10 5.58 -13.99 0 5 0 40 336.505 4 ↓
Mid Mid (pH 6-8) 1.10 7.59 -37.28 1 5 1 41 337.513 4 ↓

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

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