UCSF

ZINC53514776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 23 No

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) -0.08 2.77 -48.77 4 7 0 106 333.369 6
Mid Mid (pH 6-8) 0.65 2.39 -69.63 3 7 -1 104 332.361 6

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

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