UCSF

ZINC21983733

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 25 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) 1.61 4.46 -84.78 2 6 0 80 353.369 3
Hi High (pH 8-9.5) 1.61 3.15 -49.63 1 6 -1 76 352.361 3

Activity (Go SEA)

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