UCSF

ZINC37338206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.69 4.76 -10.56 0 4 0 39 297.782 4
Lo Low (pH 4.5-6) 2.69 6.88 -45.14 1 4 1 40 298.79 4

Activity (Go SEA)

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