UCSF

ZINC49881751

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 30 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) 7.72 16.95 -173.47 5 3 3 37 424.782 17
Hi High (pH 8-9.5) 7.72 16.56 -82.17 4 3 2 35 423.774 17

Activity (Go SEA)

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