UCSF

ZINC13131063

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 2.91 7.92 -61.75 0 6 -1 83 400.838 5
Lo Low (pH 4.5-6) 2.91 7.15 -14.58 1 6 0 80 401.846 5

Activity (Go SEA)

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