UCSF

ZINC38590426

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 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) 3.91 8.64 -54.08 3 5 1 49 377.871 5
Mid Mid (pH 6-8) 3.91 6.43 -11.34 2 5 0 48 376.863 5

Activity (Go SEA)

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