UCSF

ZINC49629864

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 14 Yes

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) -0.22 0.14 -63.62 2 6 0 91 219.266 5
Lo Low (pH 4.5-6) -0.22 0.1 -49.6 3 6 1 89 220.274 5

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

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