UCSF

ZINC37810446

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.72 5.14 -54.3 3 4 1 57 295.428 6
Hi High (pH 8-9.5) 0.72 4.73 -9.85 2 4 0 56 294.42 6

Activity (Go SEA)

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