UCSF

ZINC49087000

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) -0.72 3.82 -38.39 3 6 1 82 273.316 4
Mid Mid (pH 6-8) -0.72 3.49 -13.73 2 6 0 81 272.308 4

Activity (Go SEA)

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