UCSF

ZINC67963374

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 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) 2.99 9.59 -44.5 4 8 1 98 394.455 2
Mid Mid (pH 6-8) 2.99 9.08 -20.15 3 8 0 96 393.447 2

Activity (Go SEA)

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