UCSF

ZINC40117427

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 24 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) 3.86 7.07 -52.5 1 4 -1 69 385.237 4
Lo Low (pH 4.5-6) 3.86 6.3 -11.1 2 4 0 66 386.245 4

Activity (Go SEA)

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