UCSF

ZINC43402350

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.29 -0.77 -45.49 4 8 1 116 282.324 5
Hi High (pH 8-9.5) 0.29 -1.01 -12.23 3 8 0 114 281.316 5

Activity (Go SEA)

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