UCSF

ZINC43252798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.71 3.06 -44.18 4 4 1 60 316.878 4
Hi High (pH 8-9.5) 1.71 2.69 -7.8 3 4 0 58 315.87 4

Activity (Go SEA)

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