UCSF

ZINC49066887

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) -0.06 4.41 -54.33 2 6 1 67 280.348 5
Mid Mid (pH 6-8) -0.06 2.17 -14.81 1 6 0 66 279.34 5

Activity (Go SEA)

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