UCSF

ZINC40065936

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 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) 6.85 16.38 -14.93 0 7 0 82 526.633 9
Lo Low (pH 4.5-6) 6.85 16.83 -33.62 1 7 1 83 527.641 9

Activity (Go SEA)

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