UCSF

ZINC36204696

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 Yes

Popular Name: 2-[[[(2S)-2-hydroxypentyl]-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-o 2-[[[(2S)-2-hydroxypentyl]-(3-me…

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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) 2.30 6.4 -49.98 3 6 1 80 368.523 10 ↓
Hi High (pH 8-9.5) 2.30 4.25 -12.71 2 6 0 78 367.515 10 ↓
Hi High (pH 8-9.5) 2.76 3.53 -43.77 2 6 0 83 367.515 10 ↓

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