UCSF

ZINC63958929

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 26 Yes

Popular Name: 4-methyl-2-[(2S)-2-methyl-2,3-dihydrofuran-5-yl]-N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]thiazole-5-c 4-methyl-2-[(2S)-2-methyl-2,3-di…

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Vendors

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) 1.57 6.04 -54.76 1 8 -1 107 367.414 3 ↓
Mid Mid (pH 6-8) 1.46 5.7 -55.76 1 8 -1 112 367.414 4 ↓
Mid Mid (pH 6-8) 1.46 5.34 -142.43 0 8 -2 110 366.406 4 ↓
Lo Low (pH 4.5-6) 1.39 7.14 -17.08 2 8 0 106 368.422 4 ↓

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

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