UCSF

ZINC09240264

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 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) 4.97 11.03 -55.55 0 6 -1 83 477.468 5
Mid Mid (pH 6-8) 5.41 0.78 -9.54 1 6 0 79 478.476 4

Activity (Go SEA)

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