UCSF

ZINC43965751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.56 6.77 -31.71 2 3 1 29 297.507 6
Hi High (pH 8-9.5) 3.56 7.89 -32.3 2 3 1 26 297.507 6

Activity (Go SEA)

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