UCSF

ZINC38791548

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 4.12 8.09 -47.66 2 4 -1 81 387.54 5
Lo Low (pH 4.5-6) 4.12 6.12 -8.74 3 4 0 78 388.548 5

Activity (Go SEA)

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