UCSF

ZINC39227553

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) 5.98 15.41 -52.26 2 5 1 60 497.659 6
Hi High (pH 8-9.5) 5.98 13.01 -15.54 1 5 0 59 496.651 6

Activity (Go SEA)

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