UCSF

ZINC22865017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 26 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) 2.32 5.44 -14.59 1 6 0 76 374.462 4
Hi High (pH 8-9.5) 2.32 5.52 -47.37 0 6 -1 78 373.454 4

Activity (Go SEA)

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