UCSF

ZINC47367384

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 19 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) 4.16 6.25 -8.04 1 3 0 46 295.791 3
Mid Mid (pH 6-8) 4.16 6.31 -43.19 0 3 -1 48 294.783 3

Activity (Go SEA)

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