UCSF

ZINC33753117

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 7.56 13.27 -13.35 1 5 0 72 448.931 5
Ref Reference (pH 7) 7.56 13.54 -13.34 1 5 0 72 448.931 5
Hi High (pH 8-9.5) 8.02 11.66 -50.14 0 5 -1 75 447.923 5
Hi High (pH 8-9.5) 8.02 11.25 -52.51 0 5 -1 75 447.923 5

Activity (Go SEA)

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