UCSF

ZINC19911275

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 No

Popular Name: 2-amino-6-isopropyl-4-(3-pyridinyl)-8-(3-pyridinylmethylene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile 2-amino-6-isopropyl-4-(3-pyridin…

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Other Names:

MFCD00744639

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) 2.08 5.46 -11.51 2 6 0 88 385.471 3 ↓
Lo Low (pH 4.5-6) 2.08 5.91 -55.17 3 6 1 90 386.479 3 ↓

Activity (Go SEA)

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