UCSF

ZINC43253189

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 4.44 7.49 -47.86 3 2 1 31 344.331 6
Mid Mid (pH 6-8) 4.44 9.85 -125.81 4 2 2 32 345.339 6

Activity (Go SEA)

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