UCSF

ZINC40364249

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 34 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) 6.06 12.05 -15.74 2 6 0 84 478.662 10
Hi High (pH 8-9.5) 6.25 10.39 -45.86 1 6 -1 90 477.654 10

Activity (Go SEA)

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