UCSF

ZINC36872896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 0.37 3.05 -92.54 5 4 2 61 227.352 4
Hi High (pH 8-9.5) 0.56 1.42 -64.3 4 4 1 67 226.344 4
Hi High (pH 8-9.5) 0.37 2.76 -37.69 4 4 1 60 226.344 4
Hi High (pH 8-9.5) 0.56 1.05 -45.36 3 4 0 66 225.336 4

Activity (Go SEA)

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