UCSF

ZINC55606021

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.03 3.86 -40.06 1 8 -1 115 377.38 4
Lo Low (pH 4.5-6) 1.57 5.79 -11.27 2 8 0 112 378.388 4

Activity (Go SEA)

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