UCSF

ZINC44632623

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 No

Other Names:

MFCD03426159

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) 0.25 5.22 -34.78 1 4 1 48 198.242 2
Mid Mid (pH 6-8) 0.25 3.47 -5.96 0 4 0 47 197.234 2

Activity (Go SEA)

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