UCSF

ZINC20866996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 2.38 6.32 -52.83 2 5 1 49 296.398 2
Hi High (pH 8-9.5) 2.38 4.88 -6.98 1 5 0 44 295.39 2

Activity (Go SEA)

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