UCSF

ZINC43971391

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) 3.60 7.19 -37.5 2 3 1 29 297.507 5
Hi High (pH 8-9.5) 3.60 8.19 -33.07 2 3 1 26 297.507 5

Activity (Go SEA)

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