UCSF

ZINC52883579

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 20 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) 2.97 6.49 -37.44 3 3 1 40 277.432 8
Hi High (pH 8-9.5) 2.97 6.27 -1.67 2 3 0 38 276.424 8
Mid Mid (pH 6-8) 2.97 7.65 -32.37 3 3 1 40 277.432 8
Lo Low (pH 4.5-6) 2.97 7.86 -118.99 4 3 2 41 278.44 8

Activity (Go SEA)

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