UCSF

ZINC72322790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2012 27 Yes

Popular Name: N2,N2,1-trimethyl-N6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolo[3,2-b]pyridine-2,6-dicarboxam N2,N2,1-trimethyl-N6-(4,5,6,7-te…

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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) 2.17 7.2 -18.7 1 7 0 80 383.477 3 ↓
Lo Low (pH 4.5-6) 2.17 7.64 -51.36 2 7 1 81 384.485 3 ↓

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

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