UCSF

ZINC09836046

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 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) 3.62 6.34 -15.05 1 8 0 94 425.876 5
Ref Reference (pH 7) 3.62 6.34 -13.1 1 8 0 94 425.876 5
Ref Reference (pH 7) 3.62 7.34 -21.6 1 8 0 94 425.876 5
Ref Reference (pH 7) 3.62 6.67 -14.64 1 8 0 94 425.876 5

Activity (Go SEA)

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