UCSF

ZINC39227460

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 37 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) 5.55 15.22 -46.58 2 5 1 60 495.643 4
Hi High (pH 8-9.5) 5.55 12.83 -13.24 1 5 0 59 494.635 4

Activity (Go SEA)

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