UCSF

ZINC43400642

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.79 6.54 -33.99 1 4 1 50 246.334 4
Hi High (pH 8-9.5) 1.79 4.32 -8.59 0 4 0 49 245.326 4

Activity (Go SEA)

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