UCSF

ZINC06621794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 No

Other Names:

MFCD03501945

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) 2.54 1.01 -50.81 2 7 1 84 422.505 9
Lo Low (pH 4.5-6) 2.54 1.51 -106.87 3 7 2 85 423.513 9

Activity (Go SEA)

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