UCSF

ZINC33717713

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 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) 7.08 18.45 -41.73 1 3 1 31 442.623 12
Hi High (pH 8-9.5) 7.08 16.34 -5.46 0 3 0 30 441.615 12

Activity (Go SEA)

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