UCSF

ZINC38765415

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 18 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) 2.28 4.35 -30.22 6 4 1 78 247.297 3
Hi High (pH 8-9.5) 2.28 3.87 -6.68 5 4 0 77 246.289 3

Activity (Go SEA)

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