UCSF

ZINC40466568

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 29 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) -0.06 9.54 -99.65 3 7 0 102 403.454 6
Mid Mid (pH 6-8) -2.80 8.24 -80.4 4 7 1 105 404.462 5

Activity (Go SEA)

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