UCSF

ZINC31973052

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 3.70 10.1 -47.25 0 4 -1 57 317.727 4
Lo Low (pH 4.5-6) 3.70 10.51 -55.76 1 4 0 59 318.735 4

Activity (Go SEA)

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