UCSF

ZINC03616142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 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) 3.65 -0.65 -14.06 1 4 0 65 351.475 6
Lo Low (pH 4.5-6) 3.65 -0.54 -47.02 2 4 1 67 352.483 6

Activity (Go SEA)

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