UCSF

ZINC02088442

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 35 No

Popular Name: 3-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(3-cyano-5,6,7,8-tetr…

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Other Names:

MFCD02056247

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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) 5.88 11.33 -12.77 2 6 0 83 519.98 4 ↓
Hi High (pH 8-9.5) 6.12 9.55 -37.33 1 6 -1 92 518.972 4 ↓
Mid Mid (pH 6-8) 6.05 11.85 -33.92 3 6 1 88 520.988 4 ↓

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

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