UCSF

ZINC22714666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 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) 4.42 12.22 -54.4 1 7 -1 70 477.536 5
Mid Mid (pH 6-8) 3.70 12.38 -17.46 2 7 0 73 478.544 5

Activity (Go SEA)

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