UCSF

ZINC26307772

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 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) 3.24 9.37 -47.92 3 5 1 64 389.475 6
Hi High (pH 8-9.5) 3.24 8.26 -12.85 2 5 0 60 388.467 6

Activity (Go SEA)

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