UCSF

ZINC43470317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 0.66 5.03 -41.05 2 4 1 44 226.344 8
Hi High (pH 8-9.5) 0.66 3.95 -6.48 1 4 0 39 225.336 8

Activity (Go SEA)

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