UCSF

ZINC33497676

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 31 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) 4.53 13 -55.07 1 5 0 65 440.971 9
Lo Low (pH 4.5-6) 4.53 11.87 -53.32 2 5 1 62 441.979 9

Activity (Go SEA)

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