UCSF

ZINC86046336

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2013 33 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) -0.10 -8.71 -15.56 8 12 0 211 464.379 4
Hi High (pH 8-9.5) -0.10 -7.65 -59.69 7 12 -1 213 463.371 4

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

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