UCSF

ZINC33784434

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 34 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) 5.33 15.94 -50.02 2 4 1 38 458.601 9
Hi High (pH 8-9.5) 5.33 13.4 -15.85 1 4 0 37 457.593 9

Activity (Go SEA)

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