UCSF

ZINC36204089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 2.55 4.82 -35.37 3 3 1 46 213.345 6
Hi High (pH 8-9.5) 2.55 3.44 -6.47 2 3 0 41 212.337 6

Activity (Go SEA)

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