UCSF

ZINC37868057

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2009 34 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) 4.54 12.51 -20.99 0 6 0 78 465.521 6
Mid Mid (pH 6-8) 4.70 12.91 -15.82 0 6 0 78 465.521 6

Activity (Go SEA)

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