UCSF

ZINC47523023

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 22 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) 2.09 8.37 -49.49 2 5 1 50 297.382 3
Mid Mid (pH 6-8) 2.09 6.01 -14.56 1 5 0 48 296.374 3

Activity (Go SEA)

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