UCSF

ZINC00837677

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 No

Popular Name: N-(o-tolyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxam N-(o-tolyl)-2-[(2,2,2-trifluoroa…

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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) 4.72 8.71 -8.19 2 4 0 58 396.434 4 ↓
Mid Mid (pH 6-8) 4.91 7.18 -42.15 1 4 -1 65 395.426 4 ↓

Activity (Go SEA)

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