UCSF

ZINC39229295

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 11.5 -14.65 0 7 0 76 408.502 6
Lo Low (pH 4.5-6) 1.82 11.99 -36.12 1 7 1 77 409.51 6
Lo Low (pH 4.5-6) 1.82 11.91 -37.95 1 7 1 77 409.51 6

Activity (Go SEA)

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