UCSF

ZINC25531580

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 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) 3.33 9.47 -54.37 2 3 1 34 341.328 6
Hi High (pH 8-9.5) 3.33 7.03 -14.77 1 3 0 32 340.32 6

Activity (Go SEA)

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