UCSF

ZINC25525596

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 3.71 8.89 -18.07 1 9 0 119 450.904 6
Hi High (pH 8-9.5) 3.71 8.95 -49.68 0 9 -1 121 449.896 6

Activity (Go SEA)

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