UCSF

ZINC23280398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 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) 2.51 10.61 -93.07 2 5 2 38 337.508 12
Hi High (pH 8-9.5) 2.51 7.79 -48.07 1 5 1 37 336.5 12
Mid Mid (pH 6-8) 2.51 10.33 -112.77 2 5 2 38 337.508 12

Activity (Go SEA)

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