UCSF

ZINC26939795

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.26 10.36 -103.97 1 6 0 70 371.412 4
Hi High (pH 8-9.5) 0.26 8.08 -65.5 0 6 -1 69 370.404 4
Mid Mid (pH 6-8) -2.48 9.41 -75.27 2 6 1 73 372.42 3

Activity (Go SEA)

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