UCSF

ZINC20521293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.26 4.07 -88.63 3 5 2 45 270.421 3
Hi High (pH 8-9.5) -0.26 2.66 -43.46 2 5 1 40 269.413 3
Mid Mid (pH 6-8) -0.26 4.82 -80.94 3 5 2 41 270.421 3
Lo Low (pH 4.5-6) -0.26 6.22 -171.51 4 5 3 46 271.429 3

Activity (Go SEA)

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