UCSF

ZINC42470063

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.20 -0.75 -8.98 2 5 0 69 209.249 2
Lo Low (pH 4.5-6) -0.20 -0.65 -26.48 3 5 1 71 210.257 2

Activity (Go SEA)

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