UCSF

ZINC42366444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 3.44 7.67 -44.06 2 3 1 34 269.796 7
Mid Mid (pH 6-8) 3.44 5.42 -9.23 1 3 0 32 268.788 7

Activity (Go SEA)

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