UCSF

ZINC33698059

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 2.83 7.73 -44.54 1 6 -1 94 413.453 5
Lo Low (pH 4.5-6) 2.83 6.61 -18.98 2 6 0 91 414.461 5

Activity (Go SEA)

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