UCSF

ZINC18181816

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 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) 4.54 11.45 -9.2 0 6 0 81 492.314 2
Ref Reference (pH 7) 4.54 11.9 -11.04 0 6 0 81 492.314 2

Activity (Go SEA)

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