UCSF

ZINC19905966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.66 10.51 -110.84 3 2 2 21 262.441 8
Hi High (pH 8-9.5) 3.66 8.9 -0.82 1 2 0 15 260.425 8
Hi High (pH 8-9.5) 3.66 9.34 -28.45 2 2 1 16 261.433 8
Mid Mid (pH 6-8) 3.66 9.02 -36.76 2 2 1 20 261.433 8

Activity (Go SEA)

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