UCSF

ZINC40975941

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 28 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) 1.30 13.32 -95.38 1 6 0 70 387.455 4
Hi High (pH 8-9.5) 1.30 10.97 -65.48 0 6 -1 69 386.447 4
Mid Mid (pH 6-8) -1.44 11.33 -82.8 2 6 1 73 388.463 3

Activity (Go SEA)

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