UCSF

ZINC25898346

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 28 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) 3.82 8.86 -20.58 2 6 0 80 413.886 5
Hi High (pH 8-9.5) 4.01 7.8 -46.82 1 6 -1 87 412.878 5

Activity (Go SEA)

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