UCSF

ZINC39912529

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.77 12.63 -17.45 2 7 0 88 527.596 9
Hi High (pH 8-9.5) 5.54 13.18 -45.95 0 7 -1 87 526.588 9
Hi High (pH 8-9.5) 5.54 12.87 -59.15 0 7 -1 87 526.588 9
Hi High (pH 8-9.5) 5.77 13.76 -40.25 1 7 -1 91 526.588 9

Activity (Go SEA)

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