UCSF

ZINC33831738

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 35 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) 4.45 9.68 -62.71 2 5 -1 98 485.685 2
Lo Low (pH 4.5-6) 4.45 7.72 -15.55 3 5 0 95 486.693 2

Activity (Go SEA)

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