UCSF

ZINC38149298

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 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) 1.78 4.13 -36.31 2 5 1 46 329.896 6
Hi High (pH 8-9.5) 1.78 1.86 -6.1 1 5 0 45 328.888 6
Mid Mid (pH 6-8) 1.78 4.5 -38.62 2 5 1 46 329.896 6

Activity (Go SEA)

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