UCSF

ZINC48334750

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 1.82 8.81 -48.35 1 2 1 28 237.273 5
Mid Mid (pH 6-8) 1.82 6.77 -7.36 0 2 0 27 236.265 5

Activity (Go SEA)

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