UCSF

ZINC08433277

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 35 No

Other Names:

MFCD03462353

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) 4.38 -1.31 -51 2 7 1 80 544.466 9
Mid Mid (pH 6-8) 3.79 -1.4 -62.04 1 7 1 77 544.466 9

Activity (Go SEA)

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