UCSF

ZINC39229782

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) 2.71 10.87 -10.27 1 5 0 58 364.493 4
Lo Low (pH 4.5-6) 2.71 11.35 -32.86 2 5 1 59 365.501 4

Activity (Go SEA)

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