UCSF

ZINC15950495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 32 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) 3.77 7.05 -22.48 3 7 0 104 451.548 8
Hi High (pH 8-9.5) 3.77 7.13 -54.44 2 7 -1 106 450.54 8

Activity (Go SEA)

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