UCSF

ZINC45428068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 0.77 4.34 -8.33 0 4 0 36 233.315 2
Mid Mid (pH 6-8) 0.77 6.51 -36.56 1 4 1 38 234.323 2

Activity (Go SEA)

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