UCSF

ZINC41672521

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 0.85 5.12 -54.12 2 4 0 57 228.317 6
Hi High (pH 8-9.5) 0.85 3.69 -30.62 2 4 0 60 228.317 6
Hi High (pH 8-9.5) 0.85 2.64 -48.63 1 4 -1 55 227.309 6
Lo Low (pH 4.5-6) 0.85 6.17 -73.65 3 4 1 61 229.325 6

Activity (Go SEA)

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