UCSF

ZINC36231776

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 0.74 3.6 -56.13 3 4 1 57 249.334 2
Hi High (pH 8-9.5) 0.74 3.2 -8.11 2 4 0 56 248.326 2

Activity (Go SEA)

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