UCSF

ZINC56894739

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 28 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) -3.50 4.34 -105.28 3 8 2 88 383.452 5
Mid Mid (pH 6-8) -3.50 3.06 -46.34 2 8 1 84 382.444 5

Activity (Go SEA)

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

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