UCSF

ZINC58304963

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 22 Yes

Popular Name: (4S)-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]thiochroman-4-amine (4S)-N-[[(6R)-2-methyl-4,5,6,7-t…

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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) 1.80 8.01 -106.29 4 4 2 48 316.474 3 ↓
Hi High (pH 8-9.5) 1.80 7.23 -9.08 2 4 0 42 314.458 3 ↓
Mid Mid (pH 6-8) 1.80 7.89 -59.22 3 4 1 46 315.466 3 ↓

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

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