UCSF

ZINC65523310

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 Yes

Popular Name: 1-methyl-6-[[(3S)-3-[(2-pyridylamino)methyl]pyrrolidin-1-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-on 1-methyl-6-[[(3S)-3-[(2-pyridyla…

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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) 0.98 4.59 -86.96 3 8 1 97 340.411 5 ↓
Mid Mid (pH 6-8) 0.53 7.37 -110.31 4 8 2 94 341.419 5 ↓
Mid Mid (pH 6-8) 0.53 6.89 -63.07 3 8 1 93 340.411 5 ↓
Mid Mid (pH 6-8) 0.98 4.12 -51.29 2 8 0 96 339.403 5 ↓

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Rings

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

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