UCSF

ZINC36706090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 35 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) 6.37 13.62 -17.39 0 5 0 46 485.653 7
Lo Low (pH 4.5-6) 6.37 15.88 -63.27 1 5 1 47 486.661 7

Activity (Go SEA)

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