UCSF

ZINC33790031

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 4.96 9.92 -46.7 1 7 -1 103 485.541 6
Lo Low (pH 4.5-6) 4.96 8.79 -25.42 2 7 0 100 486.549 6

Activity (Go SEA)

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