UCSF

ZINC65511657

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 21 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) 3.05 9.18 -101.24 3 3 2 29 296.499 5
Mid Mid (pH 6-8) 3.05 6.92 -32.93 2 3 1 28 295.491 5
Mid Mid (pH 6-8) 3.05 7.09 -35.02 2 3 1 28 295.491 5

Activity (Go SEA)

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