UCSF

ZINC09235578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 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) 4.38 11.45 -52.1 0 6 -1 86 450.515 5
Lo Low (pH 4.5-6) 4.38 10.63 -14.28 1 6 0 83 451.523 5

Activity (Go SEA)

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