UCSF

ZINC26750241

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 5.07 10.8 -6.43 0 2 0 26 268.404 7
Lo Low (pH 4.5-6) 5.07 11.13 -32.69 1 2 1 27 269.412 7

Activity (Go SEA)

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