UCSF

ZINC69473566

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 17 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) 0.85 3.43 -28.07 2 5 1 57 232.311 5
Mid Mid (pH 6-8) 0.85 2.72 -11.91 1 5 0 56 231.303 5
Lo Low (pH 4.5-6) 0.85 4.08 -37.85 2 5 1 60 232.311 5

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

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