UCSF

ZINC13750934

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 32 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) 5.21 13.79 -7.84 0 5 0 50 420.468 3
Ref Reference (pH 7) 5.21 13.74 -13.41 0 5 0 50 420.468 3

Activity (Go SEA)

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