UCSF

ZINC33541371

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 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) 3.60 12.85 -60.31 0 7 -1 92 483.544 10
Lo Low (pH 4.5-6) 3.60 11.56 -23.29 1 7 0 89 484.552 10
Lo Low (pH 4.5-6) 3.60 12 -61.93 2 7 1 90 485.56 10

Activity (Go SEA)

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