UCSF

ZINC37822211

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.24 3.69 -42.2 3 4 1 61 236.339 5
Hi High (pH 8-9.5) 0.24 3.37 -6.36 2 4 0 59 235.331 5
Lo Low (pH 4.5-6) 0.24 4.15 -88.19 4 4 2 62 237.347 5

Activity (Go SEA)

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