UCSF

ZINC35511580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 27 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) 5.62 11.74 -7.76 1 5 0 45 422.33 4
Lo Low (pH 4.5-6) 5.62 12.51 -64.55 2 5 0 47 423.338 4

Activity (Go SEA)

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