UCSF

ZINC35632621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 33 Yes

Popular Name: 3-(cyclopropylamino)-4-[4-[2-[5-oxo-2-(trifluoromethyl)-1,6-naphthyridin-6-yl]ethyl]piperazin-1-yl]c 3-(cyclopropylamino)-4-[4-[2-[5-…

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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) -1.75 2.69 -41.29 2 8 1 94 462.452 5 ↓
Mid Mid (pH 6-8) -1.75 4.92 -120.83 3 8 2 95 463.46 5 ↓
Mid Mid (pH 6-8) -1.75 5.68 -75.93 2 8 1 98 462.452 5 ↓
Mid Mid (pH 6-8) -1.75 3.46 -21.44 1 8 0 97 461.444 5 ↓

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

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