UCSF

ZINC31966144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.69 5.25 -54.6 1 6 -1 85 290.343 5
Lo Low (pH 4.5-6) 1.69 4.13 -15.86 2 6 0 83 291.351 5

Activity (Go SEA)

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