UCSF

ZINC59514495

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 26 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) 4.44 11.59 -34.97 0 6 -1 91 470.733 3
Mid Mid (pH 6-8) 4.44 10.58 -13.04 1 6 0 88 471.741 3

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

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