UCSF

ZINC26570945

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 3.21 7.45 -15.27 2 6 0 84 380.901 6
Hi High (pH 8-9.5) 3.39 6.38 -41.26 1 6 -1 90 379.893 6

Activity (Go SEA)

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