UCSF

ZINC34962749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 1.60 9.39 -52.14 1 5 -1 72 325.388 6
Lo Low (pH 4.5-6) 1.60 7.37 -12.84 2 5 0 70 326.396 6

Activity (Go SEA)

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