UCSF

ZINC90430405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2013 19 Yes

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) 4.21 8.78 -45.54 1 3 -1 60 265.373 11
Lo Low (pH 4.5-6) 4.21 6.81 -6.89 2 3 0 58 266.381 11

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

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