UCSF

ZINC13683083

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 Yes

Popular Name: 1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-e 1-[2,5-dimethyl-1-(2,2,2-trifluo…

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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) 3.88 9.39 -13.45 1 5 0 68 387.427 8 ↓
Hi High (pH 8-9.5) 4.33 7.47 -51.52 0 5 -1 71 386.419 8 ↓
Mid Mid (pH 6-8) 3.88 8.79 -19.61 1 5 0 68 387.427 8 ↓

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

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