UCSF

ZINC34930718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 5.35 13.07 -12.33 1 4 0 45 391.49 7
Lo Low (pH 4.5-6) 5.35 13.44 -33.61 2 4 1 46 392.498 7

Activity (Go SEA)

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