UCSF

ZINC20217827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 No

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) -0.03 4.71 -103.31 3 4 2 41 231.365 1
Hi High (pH 8-9.5) -0.03 1.43 -8.86 1 4 0 36 229.349 1
Mid Mid (pH 6-8) -0.03 3.43 -50.44 2 4 1 37 230.357 1

Activity (Go SEA)

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