UCSF

ZINC20428486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 31 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) 3.45 9.33 -9.94 0 8 0 88 423.469 4
Mid Mid (pH 6-8) 3.45 11.92 -45.69 1 8 1 89 424.477 4

Activity (Go SEA)

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