UCSF

ZINC20264773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

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) 2.61 9.34 -74.22 1 7 0 87 410.47 10
Lo Low (pH 4.5-6) 2.61 8.51 -47.45 2 7 1 84 411.478 10

Activity (Go SEA)

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