UCSF

ZINC33767552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 25 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) -0.16 5.09 -53.84 0 7 -1 95 338.343 6
Lo Low (pH 4.5-6) -0.16 3.8 -19.31 1 7 0 93 339.351 6

Activity (Go SEA)

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