UCSF

ZINC36868492

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 Yes

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

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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) 0.82 4.62 -52.48 3 6 1 80 304.399 4 ↓
Hi High (pH 8-9.5) 1.28 0.64 -51.3 1 6 -1 79 302.383 4 ↓
Mid Mid (pH 6-8) 1.28 2.09 -62.85 2 6 0 83 303.391 4 ↓

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

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