UCSF

ZINC41680568

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) -0.96 -0.68 -8.9 2 6 0 91 213.237 6
Hi High (pH 8-9.5) -0.77 -1.97 -40.02 1 6 -1 98 212.229 6

Activity (Go SEA)

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