UCSF

ZINC40410852

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) -1.06 -8.73 -16.98 6 9 0 157 330.289 4
Hi High (pH 8-9.5) -1.06 -8 -47.62 5 9 -1 160 329.281 4
Hi High (pH 8-9.5) -1.06 -7.95 -53.36 5 9 -1 160 329.281 4

Activity (Go SEA)

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