UCSF

ZINC40125410

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 2.78 6.25 -55.88 1 5 -1 72 353.373 4
Lo Low (pH 4.5-6) 2.78 5.48 -11.65 2 5 0 70 354.381 4

Activity (Go SEA)

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