UCSF

ZINC47868069

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 27 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) 3.06 9.88 -37.77 1 5 1 37 374.549 9
Mid Mid (pH 6-8) 3.06 9.78 -37.95 1 5 1 37 374.549 9
Mid Mid (pH 6-8) 3.06 7.59 -9.05 0 5 0 36 373.541 9

Activity (Go SEA)

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