UCSF

ZINC19898878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 34 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) -0.05 11.64 -69.92 1 10 -1 141 471.486 17
Hi High (pH 8-9.5) -0.05 9.78 -113.91 0 10 -2 139 470.478 17

Activity (Go SEA)

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