UCSF

ZINC43401276

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.34 6.61 -82.22 5 5 2 72 277.416 4
Mid Mid (pH 6-8) 0.34 7.61 -36.17 4 5 1 70 276.408 4
Lo Low (pH 4.5-6) 0.34 7.04 -155.9 6 5 3 73 278.424 4

Activity (Go SEA)

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