UCSF

ZINC66148737

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 33 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) 5.43 10.7 -10.7 1 5 0 57 463.496 8
Hi High (pH 8-9.5) 5.62 8.87 -40.1 0 5 -1 63 462.488 8

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

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