UCSF

ZINC06930820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 17 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) -1.91 -4.91 -77.6 5 6 1 122 297.403 1
Hi High (pH 8-9.5) -1.91 -4.72 -48.16 3 6 -1 118 295.387 1
Hi High (pH 8-9.5) -1.91 -4.42 -85 4 6 0 119 296.395 1

Activity (Go SEA)

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