UCSF

ZINC39723723

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 27 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) 4.90 10.25 -13.33 1 4 0 55 413.421 6
Hi High (pH 8-9.5) 4.96 8.59 -45.14 0 4 -1 61 412.413 6

Activity (Go SEA)

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