UCSF

ZINC54375213

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 13 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) 0.38 6 -42.36 2 4 1 46 179.247 1
Hi High (pH 8-9.5) 0.38 4.69 -5.77 1 4 0 41 178.239 1

Activity (Go SEA)

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