UCSF

ZINC25046411

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 26 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) 2.58 5.76 -9.97 1 5 0 51 354.45 6
Lo Low (pH 4.5-6) 2.58 8.03 -47.8 2 5 1 52 355.458 6

Activity (Go SEA)

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