UCSF

ZINC43908124

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 7.56 -34.09 2 2 1 16 231.363 2
Mid Mid (pH 6-8) 2.57 8.91 -114.66 3 2 2 21 232.371 2
Mid Mid (pH 6-8) 2.57 6.82 -32.53 2 2 1 20 231.363 2

Activity (Go SEA)

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