UCSF

ZINC40802907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.49 8.87 -9.92 1 4 0 55 388.558 3
Lo Low (pH 4.5-6) 3.49 9.34 -40.74 2 4 1 56 389.566 3

Activity (Go SEA)

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