UCSF

ZINC13110982

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 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) 2.46 7.37 -60.77 0 8 -1 97 452.483 8
Lo Low (pH 4.5-6) 2.46 6.62 -14.32 1 8 0 95 453.491 8

Activity (Go SEA)

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