UCSF

ZINC39301502

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 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) 5.17 11.3 -15.8 5 8 0 114 460.563 9
Mid Mid (pH 6-8) 5.17 11.39 -38.16 6 8 1 115 461.571 9
Mid Mid (pH 6-8) 5.17 11.27 -39.36 6 8 1 115 461.571 9

Activity (Go SEA)

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