UCSF

ZINC04924616

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 No

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) 2.43 5.38 -16.91 1 6 0 77 383.473 8
Lo Low (pH 4.5-6) 2.43 5.66 -49.62 2 6 1 79 384.481 8

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

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