UCSF

ZINC36611669

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 29 Yes

Popular Name: (6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-pyridylmethyl)piperazin-1-yl]methanon (6-cyclopropyl-1,3-dimethyl-pyra…

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Download: MOL2 SDF SMILES Flexibase

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) 0.84 7.47 -12.94 0 7 0 67 390.491 4 ↓
Mid Mid (pH 6-8) 0.84 9.68 -55.39 1 7 1 68 391.499 4 ↓
Mid Mid (pH 6-8) 0.84 8.2 -44.48 1 7 1 68 391.499 4 ↓
Lo Low (pH 4.5-6) 0.84 10.44 -133.04 2 7 2 70 392.507 4 ↓

Activity (Go SEA)

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