UCSF

ZINC62973818

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 1.27 5.72 -97.93 3 4 2 34 291.439 5
Hi High (pH 8-9.5) 1.27 3.39 -39.07 2 4 1 32 290.431 5
Hi High (pH 8-9.5) 1.27 4.28 -37.29 2 4 1 29 290.431 5

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

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