UCSF

ZINC09130174

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 31 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) 3.94 -7.18 -19.84 2 8 0 110 462.549 8
Hi High (pH 8-9.5) 3.94 -6.6 -54.85 1 8 -1 112 461.541 8
Hi High (pH 8-9.5) 3.94 -6.6 -58.02 1 8 -1 112 461.541 8
Hi High (pH 8-9.5) 3.94 -6.02 -117.76 0 8 -2 114 460.533 8

Activity (Go SEA)

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