UCSF

ZINC08706708

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 29 Yes

Other Names:

MFCD09055725

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) 5.29 8.96 -8.27 2 5 0 89 399.475 5
Lo Low (pH 4.5-6) 5.29 9.65 -37.44 3 5 1 90 400.483 5

Activity (Go SEA)

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