UCSF

ZINC19900973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 2.13 4.77 -40.32 2 3 1 33 225.356 7
Hi High (pH 8-9.5) 2.13 3.23 -2.72 1 3 0 28 224.348 7
Mid Mid (pH 6-8) 2.13 6.83 -110.79 3 3 2 34 226.364 7
Mid Mid (pH 6-8) 2.13 5.4 -31.95 2 3 1 30 225.356 7

Activity (Go SEA)

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