UCSF

ZINC00538947

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

Popular Name: 3-pyridylmethyl(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine 3-pyridylmethyl(5,6,7,8-tetrahyd…

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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) 2.62 8.69 -8.58 1 4 0 51 296.399 3 ↓
Lo Low (pH 4.5-6) 2.62 9.16 -43.25 2 4 1 52 297.407 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.