UCSF

ZINC08061170

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 25 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) 5.12 8.24 -12.92 1 4 0 51 354.837 4
Lo Low (pH 4.5-6) 5.12 8.89 -34.08 2 4 1 52 355.845 4

Activity (Go SEA)

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