UCSF

ZINC55668681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 19 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) 2.34 8.96 -45.03 1 3 1 25 279.791 3
Mid Mid (pH 6-8) 2.34 6.76 -6.67 0 3 0 24 278.783 3

Activity (Go SEA)

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