UCSF

ZINC20301685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 0.83 6.09 -110.36 3 4 2 41 253.39 3
Hi High (pH 8-9.5) 0.83 2.52 -8.21 1 4 0 36 251.374 3
Mid Mid (pH 6-8) 0.83 4.94 -45.55 2 4 1 37 252.382 3
Mid Mid (pH 6-8) 0.83 3.67 -37.98 2 4 1 40 252.382 3

Activity (Go SEA)

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