UCSF

ZINC67049998

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 23 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) 0.31 7.02 -17.22 2 7 0 89 332.385 3
Mid Mid (pH 6-8) 1.04 6.81 -48.3 1 7 -1 86 331.377 3

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

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