UCSF

ZINC60023603

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 23 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) 1.26 5.5 -8.48 0 5 0 40 308.385 2
Lo Low (pH 4.5-6) 1.26 7.78 -45.76 1 5 1 41 309.393 2
Lo Low (pH 4.5-6) 1.26 5.96 -39.96 1 5 1 41 309.393 2

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

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