UCSF

ZINC49917777

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 41 No

Popular Name: 1-[[2-[4-[(benzylamino)methyl]phenyl]thiazol-4-yl]methyl]-3-(4-ethylphenyl)-1-(3-imidazol-1-ylpropyl 1-[[2-[4-[(benzylamino)methyl]ph…

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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) 6.00 19.17 -100.89 4 7 2 81 566.775 13 ↓
Hi High (pH 8-9.5) 6.00 17.3 -23.87 2 7 0 75 564.759 13 ↓
Mid Mid (pH 6-8) 6.00 18.66 -65.59 3 7 1 80 565.767 13 ↓

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

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