UCSF

ZINC05615360

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 13 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) 2.59 6.48 -10.42 1 2 0 29 168.199 0
Lo Low (pH 4.5-6) 2.59 6.94 -35.1 2 2 1 30 169.207 0
Lo Low (pH 4.5-6) 2.59 6.91 -35.39 2 2 1 30 169.207 0

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

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