UCSF

ZINC40834035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 18 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) -0.36 -0.8 -10.22 7 8 0 145 269.696 4
Hi High (pH 8-9.5) -0.36 -0.5 -41.1 6 8 -1 143 268.688 4
Lo Low (pH 4.5-6) -0.23 0.4 -29.54 8 8 1 145 270.704 5

Activity (Go SEA)

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