UCSF

ZINC40743218

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 36 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) 8.36 15.88 -96.07 0 4 0 66 499.756 4
Lo Low (pH 4.5-6) 8.36 14.01 -9.09 1 4 0 64 500.764 4

Activity (Go SEA)

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