UCSF

ZINC37039402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.51 5.16 -110.55 4 5 2 62 245.367 5
Mid Mid (pH 6-8) 0.51 3.6 -48.82 3 5 1 60 244.359 5

Activity (Go SEA)

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