UCSF

ZINC34952704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 5.75 9.82 -9.03 2 6 0 65 489.447 8
Mid Mid (pH 6-8) 5.75 12.05 -52.57 3 6 1 66 490.455 8

Activity (Go SEA)

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