UCSF

ZINC21794744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.86 6.72 -51.42 4 4 1 60 306.455 4
Hi High (pH 8-9.5) 2.86 4.51 -23.94 3 4 0 58 305.447 4

Activity (Go SEA)

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