UCSF

ZINC36365540

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 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) 1.86 10.03 -38.29 1 5 1 43 321.404 2
Mid Mid (pH 6-8) 1.86 9.7 -12.65 0 5 0 41 320.396 2

Activity (Go SEA)

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