UCSF

ZINC65507698

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 29 Yes

Popular Name: [2-(benzylamino)pyrimidin-5-yl]BLAHone [2-(benzylamino)pyrimidin-5-yl]B…

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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) 2.24 9.27 -12.93 2 7 0 84 384.443 4 ↓
Mid Mid (pH 6-8) 2.24 9.71 -39.11 3 7 1 85 385.451 4 ↓

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

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