UCSF

ZINC67754899

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 28 Yes

Popular Name: (3S)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]methyl] (3S)-1-(2-cyclohexylethyl)-3-hyd…

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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) 2.15 9.24 -36.87 3 7 1 83 390.552 8 ↓
Hi High (pH 8-9.5) 2.15 7.02 -9.25 2 7 0 82 389.544 8 ↓

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

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