UCSF

ZINC70096850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 20 Yes

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) 2.34 7.49 -9.88 1 5 0 64 269.352 3
Mid Mid (pH 6-8) 2.34 8.01 -23.45 2 5 1 65 270.36 3

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

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