UCSF

ZINC69831974

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.63 8.26 -11.13 0 5 0 80 326.377 3
Hi High (pH 8-9.5) 2.39 7.66 -38.82 0 5 -1 86 325.369 2

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

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