UCSF

ZINC47251036

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.35 3.35 -38.15 0 6 -1 80 339.78 3
Mid Mid (pH 6-8) 3.35 3.34 -10.35 1 6 0 78 340.788 3

Activity (Go SEA)

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