UCSF

ZINC39227872

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 23 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) 4.26 7.98 -8.5 1 3 0 28 326.827 3
Mid Mid (pH 6-8) 4.26 10.2 -48.76 2 3 1 29 327.835 3

Activity (Go SEA)

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