UCSF

ZINC35661368

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) -0.07 4.94 -40.98 4 4 1 66 277.388 9
Hi High (pH 8-9.5) -0.07 4.61 -7.29 3 4 0 64 276.38 9

Activity (Go SEA)

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