UCSF

ZINC20546031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) -0.74 1.35 -56.53 4 5 1 87 278.357 4
Hi High (pH 8-9.5) -0.74 1.12 -43.46 2 5 -1 87 276.341 4
Mid Mid (pH 6-8) -0.74 1.78 -107.4 5 5 2 88 279.365 4
Mid Mid (pH 6-8) -0.74 1.43 -72.42 3 5 0 89 277.349 4

Activity (Go SEA)

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