UCSF

ZINC66123440

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 38 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) 3.61 11.23 -56.41 2 10 1 95 519.626 9
Mid Mid (pH 6-8) 3.61 9.02 -23.34 1 10 0 93 518.618 9

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

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