UCSF

ZINC42271421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 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) 2.48 4.81 -6.92 2 3 0 46 240.372 4
Lo Low (pH 4.5-6) 2.48 4.67 -32.74 3 3 1 48 241.38 4

Activity (Go SEA)

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