UCSF

ZINC69929171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 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) 1.95 2.08 -6.57 1 6 0 70 326.466 5
Lo Low (pH 4.5-6) 1.95 4.23 -49.6 2 6 1 71 327.474 5

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

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