UCSF

ZINC20116185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 38 Yes

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) 6.74 13.52 -13.78 3 5 0 74 511.71 9

Activity (Go SEA)

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