UCSF

ZINC09545203

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 35 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) 6.34 1.42 -20.55 0 5 0 63 498.007 6
Lo Low (pH 4.5-6) 6.34 1.42 -57.72 1 5 1 64 499.015 6

Activity (Go SEA)

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