UCSF

ZINC28817620

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 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) 0.92 2.54 -143.36 6 2 2 55 196.338 2
Hi High (pH 8-9.5) 0.92 2.28 -47.68 5 2 1 54 195.33 2

Activity (Go SEA)

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