UCSF

ZINC48544101

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) 2.25 6.17 -41.38 2 4 1 46 254.379 4
Mid Mid (pH 6-8) 2.07 5.42 -33.84 1 4 0 53 253.371 4

Activity (Go SEA)

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