UCSF

ZINC16637914

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 39 Yes

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) 9.82 25.01 -89.48 2 3 2 12 554.049 33
Mid Mid (pH 6-8) 9.82 27.09 -203.44 3 3 3 13 555.057 33
Mid Mid (pH 6-8) 9.82 25.01 -110.44 2 3 2 12 554.049 33

Activity (Go SEA)

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