UCSF

ZINC09477399

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 39 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) 5.64 13.34 -60.55 0 7 -1 88 528.625 13
Mid Mid (pH 6-8) 6.09 12.32 -29.01 1 7 0 85 529.633 12
Mid Mid (pH 6-8) 5.06 13.3 -22.73 0 7 0 82 529.633 13

Activity (Go SEA)

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