UCSF

ZINC31920459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 4.96 8.87 -9.91 1 3 0 38 335.234 3
Lo Low (pH 4.5-6) 4.96 9.29 -30.35 2 3 1 39 336.242 3

Activity (Go SEA)

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