UCSF

ZINC40123474

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 3.73 7.39 -52.16 1 5 -1 78 372.4 4
Lo Low (pH 4.5-6) 3.73 6.63 -10.77 2 5 0 76 373.408 4

Activity (Go SEA)

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