UCSF

ZINC19945581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.24 6.13 -33.9 3 3 1 46 259.373 2
Mid Mid (pH 6-8) 3.24 5.32 -5.64 2 3 0 41 258.365 2
Mid Mid (pH 6-8) 3.24 5.31 -5.83 2 3 0 41 258.365 2

Activity (Go SEA)

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