UCSF

ZINC39303864

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 2.35 8.57 -53.85 2 6 1 63 414.551 6
Hi High (pH 8-9.5) 2.54 7.25 -44.14 1 6 0 69 413.543 6

Activity (Go SEA)

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