UCSF

ZINC41573163

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 2.11 5.69 -41.97 2 5 1 46 326.505 8
Lo Low (pH 4.5-6) 2.11 7.94 -81.46 3 5 2 47 327.513 8

Activity (Go SEA)

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