UCSF

ZINC21726714

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 2.84 5.85 -19.67 2 6 0 80 342.371 8
Hi High (pH 8-9.5) 2.84 5.71 -45.21 1 6 -1 78 341.363 8

Activity (Go SEA)

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