UCSF

ZINC39729897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 25 No

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) 3.29 9.17 -16.29 0 4 0 46 353.491 4
Lo Low (pH 4.5-6) 3.29 11.17 -41.3 1 4 1 47 354.499 4

Activity (Go SEA)

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