UCSF

ZINC34932873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 4.68 13.37 -82.62 1 8 0 93 524.658 15
Lo Low (pH 4.5-6) 4.68 12.62 -58.25 2 8 1 90 525.666 15

Activity (Go SEA)

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