UCSF

ZINC43545730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 24 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) 2.57 7.82 -10.8 0 3 0 24 334.341 3
Mid Mid (pH 6-8) 2.57 10.03 -46.52 1 3 1 25 335.349 3

Activity (Go SEA)

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