UCSF

ZINC41704245

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 1.39 2.11 -12.43 3 5 0 74 257.293 3
Mid Mid (pH 6-8) 1.39 2.57 -39.76 4 5 1 75 258.301 3

Activity (Go SEA)

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