UCSF

ZINC09009152

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 30 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) 2.50 7.45 -62.25 0 7 -1 92 410.446 7
Mid Mid (pH 6-8) 2.50 6.64 -18.08 1 7 0 89 411.454 7

Activity (Go SEA)

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