UCSF

ZINC37084086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.14 6.25 -120.7 4 3 2 41 250.386 5
Hi High (pH 8-9.5) 2.14 5.87 -27.33 3 3 1 40 249.378 5
Mid Mid (pH 6-8) 2.14 4.84 -38.79 3 3 1 40 249.378 5

Activity (Go SEA)

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