UCSF

ZINC13684404

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 20 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) 5.86 10.53 -13.05 2 3 0 38 297.512 3
Ref Reference (pH 7) 5.82 10.57 -9.44 2 3 0 36 297.512 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.