UCSF

ZINC55384789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 23 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) 2.25 3.99 -38.72 3 6 1 72 320.413 7
Mid Mid (pH 6-8) 2.25 2.79 -11.28 2 6 0 71 319.405 7

Activity (Go SEA)

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