UCSF

ZINC55269042

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 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) 2.84 5.33 -8.41 0 4 0 41 308.447 4
Mid Mid (pH 6-8) 2.84 7.55 -45.29 1 4 1 42 309.455 4

Activity (Go SEA)

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