UCSF

ZINC28182857

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 31 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) 4.94 13.06 -32.8 1 5 0 63 416.521 4
Mid Mid (pH 6-8) 4.94 12.43 -56.92 2 5 1 60 417.529 4

Activity (Go SEA)

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