UCSF

ZINC40177693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 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) -1.24 -2.94 -20.55 1 6 0 78 296.776 2
Lo Low (pH 4.5-6) -1.24 -0.61 -68.81 2 6 1 79 297.784 2

Activity (Go SEA)

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