UCSF

ZINC39733823

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 5.45 13.33 -11.36 1 5 0 59 476.642 8
Lo Low (pH 4.5-6) 5.45 15.6 -46.94 2 5 1 60 477.65 8

Activity (Go SEA)

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