UCSF

ZINC18254992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 33 Yes

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) 4.07 11.46 -14.09 1 6 0 73 441.441 5
Lo Low (pH 4.5-6) 4.07 11.74 -40.38 2 6 1 74 442.449 5

Activity (Go SEA)

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