UCSF

ZINC42752324

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 25 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) 2.33 6.85 -43.57 4 5 1 77 364.897 5
Mid Mid (pH 6-8) 2.33 4.65 -11.36 3 5 0 75 363.889 5

Activity (Go SEA)

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