UCSF

ZINC55688615

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2010 23 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) 3.81 6.71 -55.97 0 7 -1 103 400.23 5
Lo Low (pH 4.5-6) 3.81 6.54 -14.47 1 7 0 101 401.238 5

Activity (Go SEA)

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