UCSF

ZINC43253254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 2.49 5.62 -46.14 3 2 1 31 291.893 3
Hi High (pH 8-9.5) 2.49 5.3 -2.17 2 2 0 29 290.885 3

Activity (Go SEA)

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