UCSF

ZINC43698524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) 2.67 8.03 -48.41 2 2 1 25 290.383 4
Hi High (pH 8-9.5) 2.67 5.7 -9.18 1 2 0 23 289.375 4

Activity (Go SEA)

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