UCSF

ZINC20263999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 0.32 3.74 -44.9 3 4 1 55 252.334 7
Hi High (pH 8-9.5) 0.32 3.51 -5.32 2 4 0 54 251.326 7

Activity (Go SEA)

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