UCSF

ZINC20548079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 5.13 7.79 -15.09 2 3 0 49 297.741 2
Mid Mid (pH 6-8) 5.13 8.83 -54.79 1 3 -1 52 296.733 2

Activity (Go SEA)

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