UCSF

ZINC53312344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 30 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) -1.75 -3.25 -113.92 10 10 2 166 425.53 10
Hi High (pH 8-9.5) -1.75 -3.55 -54.59 9 10 1 165 424.522 10

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

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