UCSF

ZINC22750082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 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) 6.15 15.82 -17.3 1 5 0 60 491.831 4
Hi High (pH 8-9.5) 6.33 15.48 -41.96 0 5 -1 61 490.823 4

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

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