UCSF

ZINC39916856

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 25 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) 4.17 11.96 -41.16 1 4 1 31 356.877 6
Mid Mid (pH 6-8) 4.17 9.98 -7.38 0 4 0 30 355.869 6

Activity (Go SEA)

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