UCSF

ZINC47208716

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 25 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) 1.34 5.75 -13.12 1 7 0 75 346.431 4
Mid Mid (pH 6-8) 1.34 6.09 -35.85 2 7 1 76 347.439 4

Activity (Go SEA)

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