UCSF

ZINC40116475

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 No

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) 1.11 1.22 -55.98 2 6 -1 103 298.274 3
Lo Low (pH 4.5-6) 1.11 0.45 -12.33 3 6 0 100 299.282 3

Activity (Go SEA)

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