UCSF

ZINC30728509

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 34 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) -3.99 -1.79 -113.77 6 13 -1 239 495.49 12
Hi High (pH 8-9.5) -3.99 -1.94 -138.79 5 13 -2 238 494.482 12
Hi High (pH 8-9.5) -4.31 3.33 -110.02 5 13 -2 231 494.482 12

Activity (Go SEA)

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

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