UCSF

ZINC34223722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 18 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) 2.67 5.75 -46.55 1 4 -1 77 247.27 2
Lo Low (pH 4.5-6) 2.67 3.78 -8.12 2 4 0 75 248.278 2

Activity (Go SEA)

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