UCSF

ZINC43902894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 2.82 8.5 -108.28 3 2 2 21 234.387 5
Mid Mid (pH 6-8) 2.82 8.76 -30.64 2 2 1 16 233.379 5
Mid Mid (pH 6-8) 2.82 6.54 -32.77 2 2 1 20 233.379 5

Activity (Go SEA)

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