UCSF

ZINC35025819

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 3.70 11.26 -60.77 0 7 -1 92 483.544 6
Lo Low (pH 4.5-6) 3.70 10.51 -15.82 1 7 0 89 484.552 6
Lo Low (pH 4.5-6) 3.70 10.97 -52.4 2 7 1 90 485.56 6

Activity (Go SEA)

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