UCSF

ZINC20461317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -1.99 7.68 -31.72 3 10 1 115 483.593 9
Mid Mid (pH 6-8) -1.99 10.03 -84.66 4 10 2 116 484.601 9

Activity (Go SEA)

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