UCSF

ZINC05742805

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 23 No

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) -0.74 1.7 -24.95 4 9 0 120 339.377 2
Hi High (pH 8-9.5) -0.01 1.29 -59.28 3 9 -1 118 338.369 2

Activity (Go SEA)

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