UCSF

ZINC43687635

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.27 7.79 -41.78 2 6 1 61 331.44 8
Hi High (pH 8-9.5) 2.27 5.64 -11.71 1 6 0 59 330.432 8

Activity (Go SEA)

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