UCSF

ZINC37823719

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.26 3.7 -97.51 5 6 2 84 284.404 5
Hi High (pH 8-9.5) -0.26 2.08 -45.44 4 6 1 83 283.396 5
Hi High (pH 8-9.5) -0.26 0.93 -11.3 3 6 0 79 282.388 5

Activity (Go SEA)

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