UCSF

ZINC39756484

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 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) 3.92 10.23 -123.57 3 4 2 40 346.515 5
Mid Mid (pH 6-8) 3.92 8.46 -44.01 2 4 1 38 345.507 5

Activity (Go SEA)

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