UCSF

ZINC43705433

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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 4.8 -48.07 2 4 1 52 202.274 6
Mid Mid (pH 6-8) 1.39 3.43 -6.96 1 4 0 48 201.266 6

Activity (Go SEA)

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