UCSF

ZINC39641755

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 16 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) 2.71 5.53 -49.23 1 4 -1 77 215.184 2
Hi High (pH 8-9.5) 2.71 6.53 -97.85 0 4 -2 80 214.176 2

Activity (Go SEA)

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