UCSF

ZINC36868363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 Yes

Popular Name: 2-[[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-(aminomethyl)-3,5-dimethyl…

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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) 0.45 2.75 -57.72 4 6 1 91 290.372 3 ↓
Hi High (pH 8-9.5) 0.91 -0.18 -51.94 2 6 -1 93 288.356 3 ↓
Mid Mid (pH 6-8) 0.91 0.22 -67.92 3 6 0 94 289.364 3 ↓

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

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