UCSF

ZINC22239176

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 27 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) 3.24 4.05 -47.27 1 7 -1 104 450.652 3
Mid Mid (pH 6-8) 3.24 4.83 -103.2 0 7 -2 107 449.644 3

Activity (Go SEA)

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