UCSF

ZINC34474506

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) 5.14 8.8 -2.08 1 1 0 12 294.236 0
Lo Low (pH 4.5-6) 5.14 8.98 -33.32 2 1 1 17 295.244 0

Activity (Go SEA)

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