UCSF

ZINC43409483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.88 5.57 -101.86 4 4 2 54 263.385 2
Hi High (pH 8-9.5) 1.88 5.16 -48.63 3 4 1 53 262.377 2
Hi High (pH 8-9.5) 1.88 5.15 -24.63 3 4 1 53 262.377 2
Hi High (pH 8-9.5) 1.88 4.74 -5.13 2 4 0 51 261.369 2

Activity (Go SEA)

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