UCSF

ZINC08440561

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 39 No

Other Names:

MFCD03837930

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) 4.13 0.48 -61.37 2 8 1 89 533.576 9
Mid Mid (pH 6-8) 3.55 0.32 -70.39 1 8 1 86 533.576 9

Activity (Go SEA)

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