UCSF

ZINC43396489

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.31 2.3 -99.05 4 4 2 54 211.309 5
Hi High (pH 8-9.5) 0.31 1.88 -32.62 3 4 1 53 210.301 5
Hi High (pH 8-9.5) 0.31 -0.18 -41.9 3 4 1 53 210.301 5
Hi High (pH 8-9.5) 0.31 -0.59 -5.07 2 4 0 51 209.293 5

Activity (Go SEA)

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