UCSF

ZINC33796038

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) 2.83 8.54 -55.8 0 9 -1 126 488.501 6
Lo Low (pH 4.5-6) 2.83 7.72 -17.46 1 9 0 123 489.509 6

Activity (Go SEA)

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