UCSF

ZINC39261263

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 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) 5.10 14.79 -47.91 2 4 1 38 410.626 7
Hi High (pH 8-9.5) 5.10 12.57 -10.76 1 4 0 37 409.618 7

Activity (Go SEA)

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