UCSF

ZINC66181612

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 25 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) 5.91 13.02 -39.59 2 2 1 26 334.483 9
Hi High (pH 8-9.5) 5.91 11.66 -5.06 1 2 0 21 333.475 9

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

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