UCSF

ZINC43968876

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) 3.25 7.31 -42.06 2 3 1 33 290.475 7
Hi High (pH 8-9.5) 3.25 9.33 -35.09 2 3 1 29 290.475 7

Activity (Go SEA)

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