UCSF

ZINC60021283

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 31 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) -3.48 1.91 -117.5 4 15 0 204 467.497 9
Hi High (pH 8-9.5) -3.48 1.52 -79.59 3 15 -1 203 466.489 9

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

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