UCSF

ZINC20235634

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 Yes

Popular Name: N-[[7-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-y N-[[7-[[4-(3-hydroxy-3-methyl-bu…

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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) 2.47 7.35 -46.87 3 6 1 80 444.555 5 ↓
Mid Mid (pH 6-8) 2.47 6.95 -15.88 2 6 0 79 443.547 5 ↓

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Rings

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