UCSF

ZINC62933996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 Yes

Popular Name: (3R)-3-ethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1-methylpyrazolo…

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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) 0.64 8.23 -49.34 1 7 0 88 275.312 3 ↓
Mid Mid (pH 6-8) 0.64 7.52 -45.88 0 7 -1 87 274.304 3 ↓

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

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