UCSF

ZINC34824729

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 19 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) 2.92 8.98 -43.54 2 3 1 33 258.389 5
Hi High (pH 8-9.5) 2.92 7.52 -6.22 1 3 0 28 257.381 5
Mid Mid (pH 6-8) 2.92 9.09 -92.5 3 3 2 34 259.397 5

Activity (Go SEA)

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