UCSF

ZINC33369452

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 26 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) 2.65 8.44 -52.51 2 7 1 83 352.418 4
Hi High (pH 8-9.5) 2.65 7.04 -14.6 1 7 0 78 351.41 4

Activity (Go SEA)

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