UCSF

ZINC20229794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 37 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 7.19 -58.72 0 11 -1 137 508.507 8
Mid Mid (pH 6-8) 1.99 9.46 -73.59 1 11 0 138 509.515 8

Activity (Go SEA)

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