UCSF

ZINC37839244

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.08 10.36 -15.44 0 3 0 37 259.349 6
Hi High (pH 8-9.5) 2.09 9.44 -53.5 0 3 -1 43 258.341 6

Activity (Go SEA)

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