UCSF

ZINC19928029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 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) 0.38 6.26 -73.92 1 7 0 91 341.367 6
Hi High (pH 8-9.5) 0.38 3.74 -56.95 0 7 -1 90 340.359 6
Lo Low (pH 4.5-6) 0.38 5.44 -53.19 2 7 1 88 342.375 6
Lo Low (pH 4.5-6) 0.38 6.7 -106.8 2 7 1 92 342.375 6

Activity (Go SEA)

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