UCSF

ZINC55227794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 17 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) 1.98 7.17 -51.23 3 1 1 28 240.317 2
Hi High (pH 8-9.5) 1.98 6.89 -1.89 2 1 0 26 239.309 2

Activity (Go SEA)

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