UCSF

ZINC43254107

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.98 6.45 -43.41 3 2 1 31 301.907 4
Hi High (pH 8-9.5) 3.98 7.45 -33.24 3 2 1 30 301.907 4
Hi High (pH 8-9.5) 3.98 6.15 -0.75 2 2 0 29 300.899 4
Lo Low (pH 4.5-6) 3.98 7.76 -115.79 4 2 2 32 302.915 4

Activity (Go SEA)

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