UCSF

ZINC23330706

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 5.39 12.29 -10.37 1 5 0 48 442.607 6
Mid Mid (pH 6-8) 5.39 14.49 -51.96 2 5 1 50 443.615 6

Activity (Go SEA)

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