UCSF

ZINC34848811

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 1.28 4.18 -67.69 1 8 -1 108 426.445 10
Lo Low (pH 4.5-6) 1.28 3.42 -20.34 2 8 0 106 427.453 10

Activity (Go SEA)

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