UCSF

ZINC21876202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 33 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) 0.17 2.36 -19.81 2 10 0 109 454.531 7
Mid Mid (pH 6-8) 0.17 4.76 -52.87 3 10 1 110 455.539 7

Activity (Go SEA)

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