UCSF

ZINC28182818

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 6.43 14.7 -41.25 1 6 0 72 476.617 11
Mid Mid (pH 6-8) 6.43 13.9 -53.55 2 6 1 69 477.625 11

Activity (Go SEA)

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