UCSF

ZINC57916118

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 22 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) -0.59 2.3 -15.02 0 6 0 47 318.368 4
Lo Low (pH 4.5-6) -0.59 4.38 -43.99 1 6 1 48 319.376 4

Activity (Go SEA)

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