UCSF

ZINC33588343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 29 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) 2.81 11.1 -73.81 1 6 0 78 414.889 8
Lo Low (pH 4.5-6) 2.81 10.14 -48.26 2 6 1 75 415.897 8

Activity (Go SEA)

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