UCSF

ZINC27080676

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 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) 5.77 12.54 -11.52 0 4 0 42 454.957 4
Lo Low (pH 4.5-6) 5.77 13.29 -33.42 1 4 1 44 455.965 4

Activity (Go SEA)

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