UCSF

ZINC16897279

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.36 9.98 -27.48 2 7 0 101 485.66 8
Mid Mid (pH 6-8) 5.36 10.39 -23.29 2 7 0 101 485.66 8
Mid Mid (pH 6-8) 5.82 8.74 -62.47 1 7 -1 104 484.652 8

Activity (Go SEA)

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