UCSF

ZINC21880461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 28 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) 2.81 5.69 -56.81 2 7 1 80 404.512 7
Mid Mid (pH 6-8) 2.81 6.6 -17.54 1 7 0 79 403.504 7

Activity (Go SEA)

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