UCSF

ZINC65565357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 24 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) 1.14 4.28 -18.45 1 6 0 71 345.424 4
Mid Mid (pH 6-8) 1.86 3.62 -49.02 0 6 -1 68 344.416 4

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

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