UCSF

ZINC43405707

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.98 4.05 -44.93 4 4 1 76 215.28 2
Hi High (pH 8-9.5) 0.98 3.73 -5.52 3 4 0 75 214.272 2

Activity (Go SEA)

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