UCSF

ZINC49526066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 16 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) 3.01 6.71 -35.99 2 2 1 16 284.221 3
Lo Low (pH 4.5-6) 3.01 5.74 -40.52 2 2 1 20 284.221 3
Lo Low (pH 4.5-6) 3.01 7.92 -115.04 3 2 2 21 285.229 3

Activity (Go SEA)

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