UCSF

ZINC33785675

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 30 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) 3.71 10.13 -14.62 1 7 0 88 425.51 5
Lo Low (pH 4.5-6) 0.05 10.38 -40.41 2 7 1 88 426.518 6

Activity (Go SEA)

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