UCSF

ZINC21348449

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 23 Yes

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) 1.70 6.29 -11.03 0 5 0 44 335.835 2
Mid Mid (pH 6-8) 1.70 8.67 -52.89 1 5 1 45 336.843 2

Activity (Go SEA)

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