UCSF

ZINC40123912

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 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) 3.89 7.48 -55.82 1 6 -1 88 404.442 9
Lo Low (pH 4.5-6) 3.89 6.72 -13.53 2 6 0 85 405.45 9

Activity (Go SEA)

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