UCSF

ZINC17111343

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 14 Yes

Other Names:

MFCD03085879

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) 0.57 -4.1 -101.71 0 6 -2 98 190.162 0
Mid Mid (pH 6-8) 0.12 -2.66 -31.95 1 6 -1 95 191.17 0

Activity (Go SEA)

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

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