UCSF

ZINC39550540

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 35 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) 6.14 13.08 -56.85 1 6 -1 103 479.537 6
Mid Mid (pH 6-8) 6.14 13.63 -65.07 2 6 0 104 480.545 6

Activity (Go SEA)

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