UCSF

ZINC43707392

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 12 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) -0.95 1.11 -52.41 3 4 1 55 171.22 2
Hi High (pH 8-9.5) -0.95 -0.25 -9.8 2 4 0 50 170.212 2

Activity (Go SEA)

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