UCSF

ZINC43966998

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 2.47 6.85 -103.19 3 2 2 21 214.397 4
Mid Mid (pH 6-8) 2.47 5.33 -32.83 2 2 1 20 213.389 4
Mid Mid (pH 6-8) 2.47 5.69 -29.61 2 2 1 16 213.389 4

Activity (Go SEA)

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