UCSF

ZINC36754988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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 6.37 -11.13 1 4 0 59 249.273 2
Mid Mid (pH 6-8) 2.78 4.33 -55.18 0 4 -1 62 248.265 2

Activity (Go SEA)

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