UCSF

ZINC65531398

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 16 No

Other Names:

MFCD00278621

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) 2.32 6.87 -46.76 2 2 1 29 257.448 5
Mid Mid (pH 6-8) 2.32 5.7 -5.85 1 2 0 25 256.44 5

Activity (Go SEA)

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

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