UCSF

ZINC55059150

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.73 7.31 -35.74 1 4 1 40 244.355 7
Mid Mid (pH 6-8) 1.73 4.98 -5.17 0 4 0 39 243.347 7

Activity (Go SEA)

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