UCSF

ZINC48797276

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 18 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) 0.28 3.08 -14.83 1 7 0 94 264.266 4
Hi High (pH 8-9.5) 0.35 1.18 -52.87 0 7 -1 100 263.258 4

Activity (Go SEA)

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