UCSF

ZINC62969448

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: 2-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine 2-[[(3S)-3-(diethylamino)pyrroli…

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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) 1.71 5.03 -33.59 3 5 1 59 306.459 5 ↓
Hi High (pH 8-9.5) 1.71 2.57 -8.54 2 5 0 58 305.451 5 ↓
Mid Mid (pH 6-8) 1.71 4.68 -38.07 3 5 1 59 306.459 5 ↓
Mid Mid (pH 6-8) 1.71 7.07 -103.8 4 5 2 61 307.467 5 ↓

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

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