UCSF

ZINC54700548

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 15 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) 1.12 4.81 -6.12 1 3 0 38 203.22 3
Lo Low (pH 4.5-6) 1.12 5.27 -35.32 2 3 1 39 204.228 3

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

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