UCSF

ZINC20728470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 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) 3.17 5.24 -10.77 2 6 0 80 399.237 1
Ref Reference (pH 7) 2.98 7.73 -9.72 2 6 0 76 399.237 1

Activity (Go SEA)

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