UCSF

ZINC36743350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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 0.72 -12.83 3 6 0 91 314.388 5
Hi High (pH 8-9.5) 1.71 0.66 -48.54 2 6 -1 93 313.38 5

Activity (Go SEA)

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