UCSF

ZINC13476314

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 21 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) 5.27 8.52 -6.16 1 3 0 45 314.797 2
Ref Reference (pH 7) 5.27 8.94 -6.19 1 3 0 45 314.797 2
Hi High (pH 8-9.5) 5.73 6.77 -42.8 0 3 -1 48 313.789 2
Hi High (pH 8-9.5) 5.73 7.46 -41.27 0 3 -1 48 313.789 2

Activity (Go SEA)

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