UCSF

ZINC34932732

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 5.32 14.02 -6.82 0 3 0 33 386.967 9
Lo Low (pH 4.5-6) 5.32 14.39 -32.21 1 3 1 34 387.975 9

Activity (Go SEA)

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