UCSF

ZINC37032945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.46 1.01 -48.55 4 6 1 82 251.31 3
Hi High (pH 8-9.5) -0.46 0.69 -10.52 3 6 0 80 250.302 3
Mid Mid (pH 6-8) -0.46 1.37 -92.77 5 6 2 83 252.318 3

Activity (Go SEA)

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