UCSF

ZINC34540930

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 3.42 6.74 -42.11 0 1 -1 23 199.273 1
Mid Mid (pH 6-8) 3.42 6.45 -3.01 1 1 0 20 200.281 1

Activity (Go SEA)

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