UCSF

ZINC43908120

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 2.57 7.43 -34.14 2 2 1 16 231.363 2
Mid Mid (pH 6-8) 2.57 8.77 -115.73 3 2 2 21 232.371 2
Mid Mid (pH 6-8) 2.57 6.62 -32.69 2 2 1 20 231.363 2

Activity (Go SEA)

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