UCSF

ZINC41368217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 20 Yes

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) 2.46 8.84 -6.77 0 3 0 33 272.323 5
Lo Low (pH 4.5-6) 2.46 9.31 -36.56 1 3 1 34 273.331 5

Activity (Go SEA)

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