UCSF

ZINC09186452

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 36 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) 6.32 13.92 -64.59 0 6 -1 83 497.596 6
Mid Mid (pH 6-8) 6.76 13.37 -23.41 1 6 0 80 498.604 5

Activity (Go SEA)

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