UCSF

ZINC33674928

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 33 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) 4.54 12.85 -41.09 0 7 -1 106 441.463 6
Lo Low (pH 4.5-6) 4.54 11.73 -20.52 1 7 0 103 442.471 6

Activity (Go SEA)

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