UCSF

ZINC49942378

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 37 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) 6.89 14.28 -14.94 1 7 0 98 518.635 13
Hi High (pH 8-9.5) 7.08 12.93 -45.84 0 7 -1 104 517.627 13

Activity (Go SEA)

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