UCSF

ZINC15999194

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 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) 0.26 10.18 -64.84 3 7 0 108 343.412 5
Mid Mid (pH 6-8) 0.26 10.15 -57.86 2 7 -1 107 342.404 5
Mid Mid (pH 6-8) 0.26 9.71 -54.44 2 7 -1 107 342.404 5

Activity (Go SEA)

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