UCSF

ZINC13881223

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 31 No

Popular Name: 2-(1-adamantyl)-6-(4-hydroxy-3-methoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one 2-(1-adamantyl)-6-(4-hydroxy-3-m…

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Other Names:

MFCD03698884

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) 2.30 6.68 -11.97 2 7 0 101 436.537 3 ↓
Hi High (pH 8-9.5) 2.30 7.65 -51.58 1 7 -1 103 435.529 3 ↓

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