UCSF

ZINC71885723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2012 24 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) 1.88 5.16 -15.9 0 5 0 46 345.468 3
Mid Mid (pH 6-8) 1.88 7.38 -50.94 1 5 1 47 346.476 3

Activity (Go SEA)

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