UCSF

ZINC52395233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.95 4.87 -14.05 1 6 0 56 362.518 8
Lo Low (pH 4.5-6) 0.95 7.05 -41.6 2 6 1 57 363.526 8
Lo Low (pH 4.5-6) 0.95 7.14 -35.83 2 6 1 57 363.526 8

Activity (Go SEA)

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