UCSF

ZINC09461991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 24 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) 2.44 8.36 -15.29 2 7 0 88 318.34 3
Mid Mid (pH 6-8) 2.44 8.47 -32.9 3 7 1 90 319.348 3
Lo Low (pH 4.5-6) 3.35 -2.67 -37.32 3 7 1 90 319.348 3

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

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