UCSF

ZINC04981857

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 25 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) 5.51 8.92 -39.32 0 4 -1 53 369.853 6
Ref Reference (pH 7) 6.00 9.49 -8.23 1 4 0 54 370.861 5

Activity (Go SEA)

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