UCSF

ZINC39967745

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 32 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) 4.51 11.77 -18.95 1 8 0 95 470.624 9
Hi High (pH 8-9.5) 4.70 10.34 -52.77 0 8 -1 101 469.616 9

Activity (Go SEA)

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