UCSF

ZINC17987450

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 30 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) 5.78 13.68 -8.97 0 5 0 64 403.478 5
Ref Reference (pH 7) 5.78 13.7 -10.51 0 5 0 64 403.478 5

Activity (Go SEA)

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

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