UCSF

ZINC48923425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 3.59 9.44 -73.34 1 4 0 54 265.353 8
Hi High (pH 8-9.5) 3.59 7.05 -48.31 0 4 -1 53 264.345 8

Activity (Go SEA)

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