UCSF

ZINC42454644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.25 3.71 -11.16 2 5 0 83 218.26 5
Lo Low (pH 4.5-6) -0.25 4.18 -46.27 3 5 1 84 219.268 5

Activity (Go SEA)

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