UCSF

ZINC34678879

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 3.18 9.34 -12.77 0 5 0 44 397.906 4
Lo Low (pH 4.5-6) 3.18 11.55 -45.39 1 5 1 45 398.914 4

Activity (Go SEA)

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