UCSF

ZINC34932704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 5.27 13.57 -8.97 1 4 0 45 393.918 7
Lo Low (pH 4.5-6) 5.27 13.92 -34.36 2 4 1 46 394.926 7

Activity (Go SEA)

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