UCSF

ZINC01347691

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 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) 2.07 -2.1 -9.47 1 4 0 50 284.388 3
Lo Low (pH 4.5-6) 2.25 -1.98 -43.86 2 4 1 55 285.396 2

Activity (Go SEA)

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