UCSF

ZINC16090785

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 16 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) 0.12 -1.15 -52.92 4 5 1 83 245.324 5
Hi High (pH 8-9.5) 0.12 -2.54 -41.99 2 5 -1 80 243.308 5
Hi High (pH 8-9.5) 0.12 -1.08 -62.74 3 5 0 85 244.316 5

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

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