UCSF

ZINC20263087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 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) 2.31 7.39 -64.54 0 9 -1 105 483.541 11
Mid Mid (pH 6-8) 2.31 9.73 -84.38 1 9 0 106 484.549 11

Activity (Go SEA)

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