UCSF

ZINC25445173

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 Yes

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) 3.98 9.7 -19.43 1 6 0 73 377.51 10
Hi High (pH 8-9.5) 4.05 8.8 -47.09 0 6 -1 80 376.502 10

Activity (Go SEA)

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