UCSF

ZINC37824060

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.83 3.89 -80.17 4 5 2 56 298.475 6
Lo Low (pH 4.5-6) 0.83 6.36 -163.61 5 5 3 57 299.483 6
Lo Low (pH 4.5-6) 0.83 3.96 -88.97 4 5 2 56 298.475 6

Activity (Go SEA)

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