UCSF

ZINC51889554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 2.80 7.39 -99.92 3 2 2 21 224.392 2
Mid Mid (pH 6-8) 2.80 5.31 -37.71 2 2 1 20 223.384 2

Activity (Go SEA)

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