UCSF

ZINC49082208

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) -0.81 1.19 -13.97 2 6 0 80 279.34 4
Mid Mid (pH 6-8) -0.81 3.39 -51.16 3 6 1 81 280.348 4

Activity (Go SEA)

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