UCSF

ZINC67560458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 22 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) 0.95 7.64 -11.41 0 5 0 43 342.534 3
Mid Mid (pH 6-8) 0.95 9.78 -53.54 1 5 1 44 343.542 3

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

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