UCSF

ZINC58308825

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 18 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) 0.73 3.67 -58.47 3 6 1 72 248.31 4
Hi High (pH 8-9.5) 0.73 2.29 -13.08 2 6 0 68 247.302 4
Mid Mid (pH 6-8) 0.73 3.83 -102.25 4 6 2 74 249.318 4

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

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