UCSF

ZINC49917537

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 43 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) 9.48 20.37 -57.42 4 4 2 52 554.697 6
Hi High (pH 8-9.5) 9.48 19.97 -32.41 3 4 1 51 553.689 6

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

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