UCSF

ZINC36753271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 No

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) 2.36 1.39 -8.43 3 5 0 81 302.153 2
Hi High (pH 8-9.5) 2.36 2.3 -45.6 2 5 -1 84 301.145 2

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

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