UCSF

ZINC12318939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 26 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) 2.51 0.44 -40.37 1 4 1 38 370.904 4
Lo Low (pH 4.5-6) 2.51 0.55 -82.78 2 4 2 39 371.912 4

Activity (Go SEA)

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