UCSF

ZINC05272560

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 28 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) 1.35 5.66 -16.82 0 7 0 88 399.472 4
Lo Low (pH 4.5-6) 1.35 5.95 -36.53 1 7 1 89 400.48 4

Activity (Go SEA)

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