UCSF

ZINC33768631

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 23 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) 4.27 8.08 -14.35 1 4 0 45 329.469 6
Lo Low (pH 4.5-6) 4.27 8.41 -35.49 2 4 1 46 330.477 6

Activity (Go SEA)

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