UCSF

ZINC09045395

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 26 No

Other Names:

MFCD02161097

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) 3.97 9.76 -50.71 0 4 -1 60 415.238 5
Lo Low (pH 4.5-6) 3.97 8.94 -11.78 1 4 0 58 416.246 5

Activity (Go SEA)

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