UCSF

ZINC39559695

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 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) 5.09 8.27 -30.97 4 5 1 78 392.866 4
Hi High (pH 8-9.5) 5.26 8.21 -31.41 4 5 1 82 392.866 3
Hi High (pH 8-9.5) 5.26 7.23 -27.89 3 5 0 80 391.858 3

Activity (Go SEA)

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