UCSF

ZINC65344622

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -0.16 -0.78 -17.26 4 6 0 109 231.211 2
Hi High (pH 8-9.5) 0.30 -2.73 -44.31 3 6 -1 112 230.203 2

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

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