UCSF

ZINC39547987

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 19 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) 2.83 6.97 -11.9 1 3 0 42 256.349 5
Lo Low (pH 4.5-6) 2.83 7.33 -35.68 2 3 1 43 257.357 5

Activity (Go SEA)

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