UCSF

ZINC05763867

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 30 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) 5.33 14.72 -36.86 1 4 1 40 408.562 9
Hi High (pH 8-9.5) 5.33 12.58 -5.91 0 4 0 39 407.554 9

Activity (Go SEA)

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