UCSF

ZINC36224503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 2.28 6.5 -11.45 1 3 0 44 266.41 3
Mid Mid (pH 6-8) 2.50 6.51 -8.77 2 3 0 46 266.41 3

Activity (Go SEA)

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