UCSF

ZINC43971983

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 16 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) 3.78 8.5 -100.39 3 2 2 21 230.44 9
Mid Mid (pH 6-8) 3.78 6.82 -33.14 2 2 1 20 229.432 9
Mid Mid (pH 6-8) 3.78 7.58 -27.83 2 2 1 16 229.432 9

Activity (Go SEA)

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