UCSF

ZINC49235052

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 19 No

Popular Name: (2S)-1-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (2S)-1-[[(1S)-2-imidazol-1-yl-1-…

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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) -0.14 0.43 -50.18 3 7 1 90 284.365 8 ↓
Hi High (pH 8-9.5) -0.14 -0.78 -8.64 2 7 0 85 283.357 8 ↓
Lo Low (pH 4.5-6) -0.14 0.94 -106.71 4 7 2 91 285.373 8 ↓

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

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