UCSF

ZINC40787719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 31 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) 4.23 13.7 -17.92 1 6 0 65 412.493 7
Lo Low (pH 4.5-6) 4.23 14.18 -45.59 2 6 1 66 413.501 7

Activity (Go SEA)

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