UCSF

ZINC40332631

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 21 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) 0.88 3.5 -9.69 2 6 0 76 356.22 4
Lo Low (pH 4.5-6) 0.88 5.62 -46.28 3 6 1 77 357.228 4

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

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