UCSF

ZINC36865221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.95 10.06 -9.69 1 4 0 37 240.376 5
Hi High (pH 8-9.5) 2.67 10.16 -45.07 0 4 -1 34 239.368 5
Hi High (pH 8-9.5) 2.68 9.17 -46.15 1 4 0 35 240.376 5

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

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