UCSF

ZINC09310894

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 38 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) 4.92 10.75 -50.37 0 10 -1 139 514.514 8
Mid Mid (pH 6-8) 4.46 13.19 -16.98 1 10 0 136 515.522 8

Activity (Go SEA)

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