UCSF

ZINC42946733

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.54 4.12 -122.93 5 3 2 52 270.804 6
Mid Mid (pH 6-8) 1.54 2.86 -37.75 4 3 1 51 269.796 6
Mid Mid (pH 6-8) 1.54 4.43 -31.25 4 3 1 51 269.796 6

Activity (Go SEA)

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