UCSF

ZINC09748381

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) 3.31 6.14 -15.02 1 8 0 94 425.876 4
Ref Reference (pH 7) 3.31 6.62 -14.96 1 8 0 94 425.876 4
Ref Reference (pH 7) 3.31 6.09 -13.14 1 8 0 94 425.876 4

Activity (Go SEA)

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