UCSF

ZINC41679613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 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) -0.27 2.27 -86.79 5 4 2 61 203.33 7
Hi High (pH 8-9.5) -0.27 1.92 -40.59 4 4 1 60 202.322 7

Activity (Go SEA)

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