UCSF

ZINC38138441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 31 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) -1.00 0.54 -73.44 5 12 -1 190 480.533 7
Hi High (pH 8-9.5) -1.00 3.54 -136.39 4 12 -2 193 479.525 7
Hi High (pH 8-9.5) -1.00 1.49 -118.86 4 12 -2 193 479.525 7

Activity (Go SEA)

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