UCSF

ZINC21984272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 22 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) 3.82 9.52 -45.47 3 3 1 54 298.406 6
Mid Mid (pH 6-8) 3.82 9.19 -6.36 2 3 0 52 297.398 6

Activity (Go SEA)

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