UCSF

ZINC43327547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 13 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) 0.07 2.77 -84.96 4 3 2 33 185.315 2
Hi High (pH 8-9.5) 0.07 0.08 -39.17 3 3 1 32 184.307 2

Activity (Go SEA)

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