UCSF

ZINC37993872

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) -0.88 6.13 -51.89 0 6 -1 77 264.305 5
Lo Low (pH 4.5-6) -0.88 6.82 -52.48 1 6 0 78 265.313 5

Activity (Go SEA)

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