UCSF

ZINC25057913

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 26 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) 3.22 7.79 -16.81 1 5 0 56 357.36 6
Mid Mid (pH 6-8) 3.22 8.18 -40.02 2 5 1 57 358.368 6

Activity (Go SEA)

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