UCSF

ZINC43411149

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.20 0.71 -41.24 4 5 1 77 278.423 5
Hi High (pH 8-9.5) 1.20 0.29 -33.54 3 5 0 79 277.415 5
Hi High (pH 8-9.5) 1.20 -1.65 -8.41 3 5 0 75 277.415 5
Lo Low (pH 4.5-6) 1.20 0.56 -104.86 5 5 2 78 279.431 5

Activity (Go SEA)

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