UCSF

ZINC54426220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.59 9.08 -41.76 4 8 1 98 380.428 3
Mid Mid (pH 6-8) 2.59 8.58 -18.25 3 8 0 96 379.42 3

Activity (Go SEA)

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