UCSF

ZINC40053573

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 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) 3.65 7.74 -60.83 1 7 -1 99 450.511 12
Lo Low (pH 4.5-6) 3.65 6.99 -15.02 2 7 0 96 451.519 12

Activity (Go SEA)

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