UCSF

ZINC35017201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 No

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) 2.77 5.77 -11.71 3 5 0 71 360.357 6
Mid Mid (pH 6-8) 2.02 4.68 -35.2 2 5 -1 77 359.349 5

Activity (Go SEA)

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