UCSF

ZINC40298006

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 28 Yes

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) 2.93 8.69 -17.16 2 6 0 76 378.476 6
Lo Low (pH 4.5-6) 2.93 9.26 -36.41 3 6 1 77 379.484 6

Activity (Go SEA)

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