UCSF

ZINC58326296

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 Yes

Popular Name: N-methyl-2-[3-[[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]ph N-methyl-2-[3-[[[(6S)-2-methyl-4…

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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) 1.14 5.38 -63.59 4 7 1 85 344.439 7 ↓
Hi High (pH 8-9.5) 1.14 4.01 -19.22 3 7 0 80 343.431 7 ↓
Mid Mid (pH 6-8) 1.14 5.49 -105.22 5 7 2 86 345.447 7 ↓

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

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