UCSF

ZINC25323460

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 25 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) 2.62 7.57 -17.07 2 6 0 84 360.483 7
Hi High (pH 8-9.5) 2.81 6.49 -43.92 1 6 -1 90 359.475 7

Activity (Go SEA)

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