UCSF

ZINC36706178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 29 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) 5.64 9.33 -8.42 0 5 0 46 514.898 6
Lo Low (pH 4.5-6) 5.64 11.59 -40.29 1 5 1 47 515.906 6

Activity (Go SEA)

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