UCSF

ZINC37981181

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.31 3.64 -50 0 5 -1 78 309.754 4
Lo Low (pH 4.5-6) 2.31 3.11 -16.87 1 5 0 76 310.762 4

Activity (Go SEA)

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