UCSF

ZINC16672992

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 21 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) 4.29 7.66 -45.02 0 3 -1 44 297.334 3
Ref Reference (pH 7) 4.78 7.81 -7.9 1 3 0 45 298.342 2
Hi High (pH 8-9.5) 5.24 5.79 -49.54 0 3 -1 48 297.334 2
Hi High (pH 8-9.5) 5.24 6.48 -48.38 0 3 -1 48 297.334 2

Activity (Go SEA)

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