UCSF

ZINC25494686

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 22 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) -0.40 5.45 -116.46 1 7 -2 119 307.302 8
Lo Low (pH 4.5-6) -0.40 4.32 -59.8 2 7 -1 116 308.31 8
Lo Low (pH 4.5-6) -0.40 4.33 -52.74 2 7 -1 116 308.31 8

Activity (Go SEA)

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