UCSF

ZINC39229850

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 Yes

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) 2.38 10.57 -10.25 1 5 0 58 358.445 5
Lo Low (pH 4.5-6) 2.38 11.03 -44.25 2 5 1 59 359.453 5

Activity (Go SEA)

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