UCSF

ZINC53707532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 17 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) 2.22 7.42 -38.43 2 3 1 33 250.391 6
Hi High (pH 8-9.5) 2.22 7.91 -93.22 3 3 2 34 251.399 6
Hi High (pH 8-9.5) 2.22 6.56 -27.36 2 3 1 29 250.391 6
Hi High (pH 8-9.5) 2.22 6.07 -5.45 1 3 0 28 249.383 6

Activity (Go SEA)

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