UCSF

ZINC43394483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.75 6.38 -122.75 4 3 2 41 280.456 8
Mid Mid (pH 6-8) 2.75 5.75 -40.29 3 3 1 40 279.448 8
Mid Mid (pH 6-8) 2.75 6.89 -25.12 3 3 1 40 279.448 8

Activity (Go SEA)

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