UCSF

ZINC66640059

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 25 No

Popular Name: (3R)-3-acetamido-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-propanamide (3R)-3-acetamido-N-[(4-isopropyl…

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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) -0.73 7.08 -20.74 3 7 0 92 361.471 7 ↓
Mid Mid (pH 6-8) -0.01 6.87 -50.36 2 7 -1 89 360.463 7 ↓

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

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