UCSF

ZINC69521257

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 Yes

Popular Name: 2-(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl 2-(2-isopropyl-1-methyl-6,7-dihy…

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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) 1.06 4.99 -27.74 1 7 0 76 334.449 4 ↓
Mid Mid (pH 6-8) 1.06 5.54 -39.4 2 7 1 77 335.457 4 ↓
Lo Low (pH 4.5-6) 1.06 7.14 -58.76 2 7 1 77 335.457 4 ↓

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

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