UCSF

ZINC21819757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 25 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) 4.27 9.5 -34.82 3 4 1 55 339.459 7
Mid Mid (pH 6-8) 4.27 8.51 -7.88 2 4 0 50 338.451 7

Activity (Go SEA)

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