UCSF

ZINC05093687

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 23 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) 3.81 6.44 -10.18 2 5 0 74 327.771 2
Hi High (pH 8-9.5) 4.72 5.03 -48.68 1 5 -1 81 326.763 2
Hi High (pH 8-9.5) 4.27 4.7 -44.97 1 5 -1 77 326.763 2
Hi High (pH 8-9.5) 4.27 4.38 -56.4 1 5 -1 77 326.763 2

Activity (Go SEA)

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