UCSF

ZINC40875729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) -0.63 -0.39 -10.18 7 8 0 145 269.696 3
Hi High (pH 8-9.5) -0.63 -0.09 -41.13 6 8 -1 143 268.688 3
Lo Low (pH 4.5-6) -0.50 0.81 -29.62 8 8 1 145 270.704 4

Activity (Go SEA)

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