UCSF

ZINC70087478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 20 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) 1.30 3.69 -45.61 3 4 1 51 296.46 5
Mid Mid (pH 6-8) 1.30 6.14 -110.07 4 4 2 52 297.468 5

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

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