UCSF

ZINC37827722

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.62 10.75 -63.33 0 4 -1 60 274.34 6
Lo Low (pH 4.5-6) 2.62 8.68 -13.62 1 4 0 58 275.348 6

Activity (Go SEA)

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