UCSF

ZINC26368754

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 29 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) 3.41 10.97 -25.96 1 6 0 72 413.474 6
Hi High (pH 8-9.5) 2.93 10.07 -65.28 0 6 -1 78 412.466 6

Activity (Go SEA)

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