UCSF

ZINC42441066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) -0.18 0.07 -15.75 6 6 0 115 276.34 4
Lo Low (pH 4.5-6) -0.18 -0.21 -31.44 7 6 1 117 277.348 4

Activity (Go SEA)

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