UCSF

ZINC14224131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 33 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) 3.89 5.46 -21.31 3 8 0 121 487.603 7
Hi High (pH 8-9.5) 3.89 5.54 -53.91 2 8 -1 124 486.595 7
Hi High (pH 8-9.5) 3.89 5.55 -50.39 2 8 -1 124 486.595 7
Hi High (pH 8-9.5) 3.89 5.63 -104.76 1 8 -2 126 485.587 7

Activity (Go SEA)

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