UCSF

ZINC65495249

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

Popular Name: 2-[[2-amino-6-[4-(benzotriazol-1-yl)-1-piperidyl]pyrimidin-4-yl]amino]ethanol 2-[[2-amino-6-[4-(benzotriazol-1…

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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) 1.04 4.22 -17.81 4 9 0 118 354.418 5 ↓
Lo Low (pH 4.5-6) 1.04 4.61 -37.11 5 9 1 119 355.426 5 ↓

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

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