UCSF

ZINC50577281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 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) 2.83 8.82 -117.37 3 2 2 21 252.377 4
Hi High (pH 8-9.5) 2.83 7.79 -36.34 2 2 1 16 251.369 4

Activity (Go SEA)

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