UCSF

ZINC21639912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 Yes

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) 2.94 6.85 -7.72 0 5 0 41 344.846 3
Lo Low (pH 4.5-6) 2.94 9.24 -51.54 1 5 1 43 345.854 3
Lo Low (pH 4.5-6) 2.94 7.14 -32.86 1 5 1 43 345.854 3

Activity (Go SEA)

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