UCSF

ZINC04040674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 26 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) -0.73 8.07 -118.37 2 8 -2 138 354.318 7
Lo Low (pH 4.5-6) -0.73 6.01 -57.44 3 8 -1 136 355.326 7

Activity (Go SEA)

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