UCSF

ZINC55054021

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 29 Yes

Popular Name: (4S)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(4-pyridyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-car (4S)-N-(3-phenyl-1,2,4-thiadiazo…

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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) 2.72 9.27 -51.43 3 8 1 101 404.479 3 ↓
Mid Mid (pH 6-8) 2.72 8.81 -15.26 2 8 0 100 403.471 3 ↓
Lo Low (pH 4.5-6) 2.72 9.73 -106.96 4 8 2 102 405.487 3 ↓

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

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