UCSF

ZINC34426121

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 35 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) 5.40 14.25 -19.67 1 8 0 106 471.513 9
Lo Low (pH 4.5-6) 5.40 14.73 -46.89 2 8 1 108 472.521 9

Activity (Go SEA)

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