UCSF

ZINC20266954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 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) -0.94 10.04 -31.12 3 9 1 106 487.584 6
Mid Mid (pH 6-8) -0.94 12.38 -84.58 4 9 2 107 488.592 6

Activity (Go SEA)

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