UCSF

ZINC37818282

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.77 -0.96 -53.1 5 7 1 106 283.352 3
Hi High (pH 8-9.5) -0.58 -3.6 -73.43 4 7 0 112 282.344 3
Hi High (pH 8-9.5) -0.77 -1.27 -12.5 4 7 0 105 282.344 3

Activity (Go SEA)

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