UCSF

ZINC20270234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 0.96 4.62 -92.93 3 4 2 28 290.455 5
Mid Mid (pH 6-8) 0.96 4.63 -86.11 3 4 2 28 290.455 5
Mid Mid (pH 6-8) 0.96 2.24 -40.32 2 4 1 26 289.447 5

Activity (Go SEA)

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