UCSF

ZINC40165689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 18 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) 1.75 6.93 -94.48 3 3 2 24 249.402 5
Mid Mid (pH 6-8) 1.75 4.56 -39.59 2 3 1 23 248.394 5

Activity (Go SEA)

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