UCSF

ZINC43884214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 14 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) 2.74 7.7 -109.96 3 2 2 21 200.37 6
Mid Mid (pH 6-8) 2.74 5.83 -31.73 2 2 1 20 199.362 6
Mid Mid (pH 6-8) 2.74 6.47 -31.72 2 2 1 16 199.362 6

Activity (Go SEA)

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