UCSF

ZINC39640848

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 17 No

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) 0.37 5.77 -79.82 5 6 2 73 238.339 3
Hi High (pH 8-9.5) 0.37 3.42 -25.91 4 6 1 72 237.331 3
Hi High (pH 8-9.5) 0.37 2.83 -7.32 3 6 0 70 236.323 3
Hi High (pH 8-9.5) 0.55 3.54 -8 3 6 0 74 236.323 2
Mid Mid (pH 6-8) 0.37 5.2 -41.96 4 6 1 72 237.331 3

Activity (Go SEA)

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