UCSF

ZINC05739883

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 21 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) 1.41 2.29 -21.54 3 6 0 106 283.287 2
Ref Reference (pH 7) 1.41 2.38 -19.16 3 6 0 106 283.287 2
Hi High (pH 8-9.5) 1.86 -0.41 -64.86 2 6 -1 109 282.279 2
Hi High (pH 8-9.5) 1.86 -0.33 -62.24 2 6 -1 109 282.279 2

Activity (Go SEA)

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