UCSF

ZINC36876694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.32 5.91 -92.86 5 4 2 67 297.349 8
Mid Mid (pH 6-8) 2.32 5.49 -50.61 4 4 1 66 296.341 8

Activity (Go SEA)

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