UCSF

ZINC43473323

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 No

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) 2.02 5.68 -48.76 2 7 1 89 295.294 5
Hi High (pH 8-9.5) 2.02 4.24 -7.77 1 7 0 85 294.286 5

Activity (Go SEA)

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