UCSF

ZINC63742995

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 29 No

Popular Name: (5R,6S)-6-amino-5-[2-[[5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)he (5R,6S)-6-amino-5-[2-[[5-(2-brom…

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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) 1.36 2.63 -36.36 4 10 -1 149 482.34 8 ↓
Hi High (pH 8-9.5) 1.36 2.43 -103.31 3 10 -2 148 481.332 8 ↓
Mid Mid (pH 6-8) 1.36 3.12 -37.87 5 10 0 151 483.348 8 ↓

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

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