UCSF

ZINC47514420

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 19 No

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) 2.05 8.52 -10.78 1 4 0 47 253.305 4
Mid Mid (pH 6-8) 2.05 9.03 -38.25 2 4 1 48 254.313 4

Activity (Go SEA)

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