UCSF

ZINC69498551

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

Popular Name: N-[(1S)-2-(4-methylthiazol-2-yl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine N-[(1S)-2-(4-methylthiazol-2-yl)…

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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) 2.29 7.37 -28.26 2 4 1 44 293.46 8 ↓
Mid Mid (pH 6-8) 2.29 7.73 -31.31 2 4 1 47 293.46 8 ↓
Mid Mid (pH 6-8) 2.29 6.86 -8.72 1 4 0 43 292.452 8 ↓

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

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