UCSF

ZINC42451314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) -0.57 4.28 -59.68 3 5 1 89 296.416 7
Hi High (pH 8-9.5) -0.57 3.93 -13.67 2 5 0 87 295.408 7

Activity (Go SEA)

Rings

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