UCSF

ZINC34539159

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 5.20 14.01 -7.4 0 2 0 6 392.546 6
Mid Mid (pH 6-8) 5.20 16.37 -44.13 1 2 1 8 393.554 6
Lo Low (pH 4.5-6) 5.20 18.73 -88.38 2 2 2 9 394.562 6

Activity (Go SEA)

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