UCSF

ZINC40109523

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 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) 4.32 11.14 -61.78 0 6 -1 83 459.497 9
Lo Low (pH 4.5-6) 4.32 10.38 -18.6 1 6 0 80 460.505 9

Activity (Go SEA)

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