UCSF

ZINC34860213

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 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) 6.52 13.69 -11.65 1 3 0 38 373.887 5
Lo Low (pH 4.5-6) 6.52 14.03 -25.13 2 3 1 39 374.895 5

Activity (Go SEA)

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