UCSF

ZINC23962044

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 26 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) 2.71 8.86 -50.67 2 5 1 56 353.442 7
Hi High (pH 8-9.5) 2.71 6.39 -13.23 1 5 0 55 352.434 7

Activity (Go SEA)

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