UCSF

ZINC39229294

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 1.82 11.26 -15.01 0 7 0 76 408.502 6
Lo Low (pH 4.5-6) 1.82 11.73 -37.8 1 7 1 77 409.51 6
Lo Low (pH 4.5-6) 1.82 11.96 -37.17 1 7 1 77 409.51 6

Activity (Go SEA)

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