UCSF

ZINC25560349

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 21 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) 2.51 5.5 -11.34 1 5 0 60 304.371 5
Hi High (pH 8-9.5) 2.58 4.59 -47.77 0 5 -1 67 303.363 5

Activity (Go SEA)

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