UCSF

ZINC06534878

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 16 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) 3.64 5.45 -7.69 1 2 0 33 231.682 2
Lo Low (pH 4.5-6) 3.64 5.81 -36.62 2 2 1 34 232.69 2

Activity (Go SEA)

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