UCSF

ZINC66649964

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Substance Information

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

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

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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) 0.37 7.66 -19.5 2 8 0 98 361.427 6 ↓
Mid Mid (pH 6-8) 1.10 7.47 -49.64 1 8 -1 95 360.419 6 ↓

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

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