UCSF

ZINC25045741

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 22 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) 2.33 6.57 -13.85 1 5 0 58 295.342 3
Hi High (pH 8-9.5) 2.33 7.48 -61.37 0 5 -1 61 294.334 3

Activity (Go SEA)

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