UCSF

ZINC38837360

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 31 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) 6.24 14.27 -51.08 1 5 1 47 461.051 9
Hi High (pH 8-9.5) 6.24 11.8 -10.62 0 5 0 46 460.043 9

Activity (Go SEA)

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