UCSF

ZINC41672376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.64 3.61 -55.9 2 4 0 60 240.328 3
Hi High (pH 8-9.5) 0.64 3.03 -48.15 1 4 -1 55 239.32 3
Lo Low (pH 4.5-6) 0.64 6.29 -85.92 3 4 1 61 241.336 3
Lo Low (pH 4.5-6) 0.64 5.08 -27.79 2 4 0 57 240.328 3

Activity (Go SEA)

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