UCSF

ZINC05685863

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 24 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) 1.55 3.5 -18.96 3 7 0 103 322.324 3
Ref Reference (pH 7) 1.55 3.33 -26.79 3 7 0 103 322.324 3
Hi High (pH 8-9.5) 2.01 1.45 -66.19 2 7 -1 107 321.316 3
Hi High (pH 8-9.5) 2.01 1.76 -51.65 2 7 -1 107 321.316 3

Activity (Go SEA)

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