UCSF

ZINC62965453

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Substance Information

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

Popular Name: (3S)-1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (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) 2.75 6.33 -38.95 1 4 1 33 325.889 3 ↓
Hi High (pH 8-9.5) 2.75 3.93 -6.1 0 4 0 32 324.881 3 ↓
Mid Mid (pH 6-8) 2.75 6.42 -32.46 1 4 1 33 325.889 3 ↓

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

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