UCSF

ZINC36616475

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 Yes

Popular Name: [1-(2-fluorophenyl)-6-methyl-pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyridylmethyl)piperazin-1-yl]methano [1-(2-fluorophenyl)-6-methyl-pyr…

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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) 1.85 9.85 -18.13 0 7 0 67 430.487 4 ↓
Mid Mid (pH 6-8) 1.85 12.08 -54.99 1 7 1 68 431.495 4 ↓
Mid Mid (pH 6-8) 1.85 9.86 -49.02 1 7 1 68 431.495 4 ↓
Lo Low (pH 4.5-6) 1.85 12.07 -129.89 2 7 2 70 432.503 4 ↓

Activity (Go SEA)

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