UCSF

ZINC41677459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 3.46 8.32 -33.05 2 3 1 29 277.219 6
Hi High (pH 8-9.5) 3.46 5.8 -1.85 1 3 0 28 276.211 6

Activity (Go SEA)

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