UCSF

ZINC43396382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.08 -1.7 -43.75 4 4 1 70 197.258 5
Hi High (pH 8-9.5) -0.08 -2.11 -6.65 3 4 0 68 196.25 5

Activity (Go SEA)

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