UCSF

ZINC09270371

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 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) 6.05 13.75 -61.33 0 5 -1 73 471.533 4
Mid Mid (pH 6-8) 6.49 13.2 -24.2 1 5 0 71 472.541 3

Activity (Go SEA)

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