UCSF

ZINC48953918

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 Yes

Popular Name: (3S)-1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (3S)-1-[(4-chloro-5,6-dimethyl-t…

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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) 2.36 5.19 -32.58 2 4 1 50 312.846 2 ↓
Hi High (pH 8-9.5) 2.36 2.95 -7.03 1 4 0 49 311.838 2 ↓

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

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