UCSF

ZINC37822749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -1.44 0.74 -48.92 4 6 1 90 251.31 6
Hi High (pH 8-9.5) -1.44 0.33 -11.51 3 6 0 88 250.302 6
Lo Low (pH 4.5-6) -1.44 1.2 -89.1 5 6 2 91 252.318 6

Activity (Go SEA)

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