UCSF

ZINC04476346

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 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

Annotations

None

Vendors

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 7.73 -48.76 3 6 1 89 386.479 3 ↓
Lo Low (pH 4.5-6) 2.08 8.01 -103.19 4 6 2 91 387.487 3 ↓
Lo Low (pH 4.5-6) 2.08 8.01 -106.19 4 6 2 91 387.487 3 ↓
Lo Low (pH 4.5-6) 2.08 8.29 -170.47 5 6 3 92 388.495 3 ↓

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