UCSF

ZINC20225277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 0.86 3.08 -44.49 3 3 1 44 195.286 5
Mid Mid (pH 6-8) 0.86 5.05 -124.26 4 3 2 45 196.294 5
Mid Mid (pH 6-8) 0.86 4.33 -32.39 3 3 1 44 195.286 5

Activity (Go SEA)

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