UCSF

ZINC39737538

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 2.87 9.46 -17.98 1 8 0 83 501.678 9
Mid Mid (pH 6-8) 2.87 11.76 -52.07 2 8 1 84 502.686 9

Activity (Go SEA)

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