UCSF

ZINC04985236

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 22 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) 4.68 7.91 -8.85 2 4 0 58 374.263 4
Hi High (pH 8-9.5) 4.68 8.68 -41.77 1 4 -1 60 373.255 4

Activity (Go SEA)

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