UCSF

ZINC05329737

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 24 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) 2.79 -3.45 -14.58 1 5 0 66 344.436 4
Hi High (pH 8-9.5) 2.79 -2.87 -51.92 0 5 -1 68 343.428 4

Activity (Go SEA)

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