UCSF

ZINC20899012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 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) 3.44 9.17 -47.69 1 7 -1 90 427.55 5
Mid Mid (pH 6-8) 2.98 10.22 -13.47 2 7 0 87 428.558 5

Activity (Go SEA)

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