UCSF

ZINC13781550

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 40 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) 6.22 16.59 -212.73 8 6 4 85 558.896 27
Hi High (pH 8-9.5) 6.22 15.22 -150.71 7 6 3 80 557.888 27

Activity (Go SEA)

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