UCSF

ZINC33808954

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 6.74 13.65 -13.92 1 6 0 81 470.55 5
Hi High (pH 8-9.5) 6.74 14.57 -47.92 0 6 -1 84 469.542 5

Activity (Go SEA)

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