UCSF

ZINC33766340

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 0.98 6.39 -53.87 0 9 -1 110 441.46 10
Lo Low (pH 4.5-6) 0.98 5.1 -22.94 1 9 0 107 442.468 10

Activity (Go SEA)

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