UCSF

ZINC66636055

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 23 No

Popular Name: 4-(diethylamino)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 4-(diethylamino)-N-[(4-ethyl-5-s…

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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) 1.37 8.78 -13.82 2 6 0 66 333.461 7 ↓
Mid Mid (pH 6-8) 2.10 8.55 -44.52 1 6 -1 63 332.453 7 ↓
Lo Low (pH 4.5-6) 1.37 8.89 -29.89 3 6 0 67 334.469 7 ↓

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

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