UCSF

ZINC29243050

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 22 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) 4.65 11.7 -42.2 1 2 1 14 296.434 5
Hi High (pH 8-9.5) 4.65 9.37 -4.38 0 2 0 12 295.426 5

Activity (Go SEA)

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