UCSF

ZINC55117124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.53 5.82 -9.88 2 6 0 74 362.499 7
Lo Low (pH 4.5-6) 2.53 6.74 -23.41 3 6 0 75 363.507 7
Lo Low (pH 4.5-6) 2.53 6.59 -23.04 3 6 0 75 363.507 7

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

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