UCSF

ZINC95869851

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 21 Yes

Other Names:

MFCD00894748

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.94 9.38 -42.42 2 4 1 50 282.367 2
Mid Mid (pH 6-8) 1.94 8.92 -11.77 1 4 0 49 281.359 2
Mid Mid (pH 6-8) 1.94 8.92 -12.41 1 4 0 49 281.359 2

Activity (Go SEA)

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

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