UCSF

ZINC37026891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.48 4.37 -49.65 3 5 1 62 249.338 3
Mid Mid (pH 6-8) 0.48 4.76 -83.8 4 5 2 63 250.346 3

Activity (Go SEA)

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