UCSF

ZINC43424413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.27 2.45 -47.67 3 5 1 60 284.424 6
Mid Mid (pH 6-8) 0.27 4.66 -93.41 4 5 2 62 285.432 6

Activity (Go SEA)

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