UCSF

ZINC44656531

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 31 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) 1.67 6.98 -23.34 2 8 0 102 414.469 5
Lo Low (pH 4.5-6) 1.67 7.39 -51.58 3 8 1 103 415.477 5

Activity (Go SEA)

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