UCSF

ZINC36677531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 0.97 6.15 -184.1 5 4 3 49 251.398 5
Hi High (pH 8-9.5) 0.97 3.69 -4.45 2 4 0 45 248.374 5
Hi High (pH 8-9.5) 0.97 4.08 -48.09 3 4 1 47 249.382 5
Mid Mid (pH 6-8) 0.97 4.41 -83.94 4 4 2 48 250.39 5
Mid Mid (pH 6-8) 0.97 5.8 -118.07 4 4 2 48 250.39 5

Activity (Go SEA)

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