UCSF

ZINC72322777

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2012 30 Yes

Popular Name: N6-[4-(diethylamino)-2-methyl-phenyl]-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-[4-(diethylamino)-2-methyl-ph…

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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) 3.11 9.3 -70.23 2 7 0 72 408.526 6 ↓
Mid Mid (pH 6-8) 3.11 9.24 -14.54 1 7 0 70 407.518 6 ↓
Lo Low (pH 4.5-6) 3.11 9.72 -66.98 3 7 0 73 409.534 6 ↓

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

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