UCSF

ZINC67725792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 28 Yes

Popular Name: (3R)-3-[[(2-aminopyrimidin-5-yl)methyl-methyl-amino]methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxy (3R)-3-[[(2-aminopyrimidin-5-yl)…

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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) 0.24 7.07 -49.28 4 7 1 97 392.43 6 ↓
Mid Mid (pH 6-8) 0.24 5.03 -16.51 3 7 0 96 391.422 6 ↓

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

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