UCSF

ZINC20176458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.34 11.29 -16.37 1 5 0 37 466.022 11
Mid Mid (pH 6-8) 4.34 13.62 -52.77 2 5 1 38 467.03 11

Activity (Go SEA)

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