UCSF

ZINC03154874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 31 No

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) 7.08 14.05 -9.07 0 3 0 34 412.439 6
Lo Low (pH 4.5-6) 7.09 14.4 -45.74 1 3 1 36 413.447 6
Lo Low (pH 4.5-6) 7.08 12.79 -46.53 1 3 1 36 413.447 6
Lo Low (pH 4.5-6) 7.08 13.63 -41.5 1 3 1 36 413.447 6
Lo Low (pH 4.5-6) 7.08 13.7 -48.7 1 3 1 36 413.447 6

Activity (Go SEA)

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