UCSF

ZINC04562405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.72 10.09 -14.42 2 6 0 84 414.575 8
Hi High (pH 8-9.5) 4.90 8.68 -45.41 1 6 -1 90 413.567 8

Activity (Go SEA)

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