UCSF

ZINC34931118

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 5.16 13.3 -7.87 1 5 0 53 469.629 8
Lo Low (pH 4.5-6) 5.16 15.02 -44.49 2 5 1 54 470.637 8

Activity (Go SEA)

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