UCSF

ZINC05889594

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 14 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) 0.98 2.66 -26.78 5 5 1 88 191.214 1
Hi High (pH 8-9.5) 0.98 2.18 -8.78 4 5 0 87 190.206 1

Activity (Go SEA)

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