UCSF

ZINC43411925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.15 4.9 -71.5 2 6 0 91 379.276 6
Hi High (pH 8-9.5) 2.15 2.57 -49.54 1 6 -1 90 378.268 6

Activity (Go SEA)

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