UCSF

ZINC28286079

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 33 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) 2.42 6.26 -11.54 1 9 0 91 473.599 8
Lo Low (pH 4.5-6) 2.42 6.59 -32.55 2 9 1 92 474.607 8

Activity (Go SEA)

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