UCSF

ZINC66112282

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 34 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) 6.85 9.57 -12.41 2 5 0 78 546.785 5

Activity (Go SEA)

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