UCSF

ZINC58582833

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 33 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) 5.75 13.06 -42.05 1 4 -1 77 455.659 7
Lo Low (pH 4.5-6) 5.75 11.29 -8.8 2 4 0 75 456.667 7

Activity (Go SEA)

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