UCSF

ZINC48303003

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 30 Yes

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) 3.45 10.22 -44.29 1 5 1 39 404.534 8
Mid Mid (pH 6-8) 3.45 10.22 -44.7 1 5 1 39 404.534 8
Mid Mid (pH 6-8) 3.45 7.96 -8.23 0 5 0 38 403.526 8
Lo Low (pH 4.5-6) 3.45 10.68 -82.82 2 5 2 40 405.542 8

Activity (Go SEA)

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