UCSF

ZINC15935005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

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) 1.09 -0.29 -52.78 1 10 -1 146 430.418 4
Mid Mid (pH 6-8) 1.09 -0.38 -51.95 1 10 -1 146 430.418 4
Mid Mid (pH 6-8) 0.63 2.17 -17.66 2 10 0 143 431.426 4
Mid Mid (pH 6-8) 1.09 -0.55 -51.93 1 10 -1 146 430.418 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.