UCSF

ZINC35060885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 30 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) 5.10 12.47 -10.52 1 4 0 47 399.469 6
Lo Low (pH 4.5-6) 5.10 13.11 -32.34 2 4 1 48 400.477 6

Activity (Go SEA)

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