UCSF

ZINC18029836

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 28 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) 2.67 8.32 -60 0 6 -1 79 378.404 7
Lo Low (pH 4.5-6) 2.67 7.5 -16.61 1 6 0 76 379.412 7

Activity (Go SEA)

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