UCSF

ZINC38770853

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 31 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) 3.84 5.58 -18.97 1 8 0 96 433.411 9
Hi High (pH 8-9.5) 3.90 3.88 -47.22 0 8 -1 102 432.403 9

Activity (Go SEA)

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