UCSF

ZINC38580906

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 19 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) 3.40 9.45 -42.25 0 3 -1 57 277.727 3
Lo Low (pH 4.5-6) 3.40 7.48 -5.06 1 3 0 54 278.735 3

Activity (Go SEA)

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