UCSF

ZINC43285192

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 2.13 4.32 -36.12 3 2 1 31 290.25 4
Hi High (pH 8-9.5) 2.13 6.04 -32.35 3 2 1 30 290.25 4
Hi High (pH 8-9.5) 2.13 3.62 -1.39 2 2 0 29 289.242 4
Lo Low (pH 4.5-6) 2.13 6.33 -109.52 4 2 2 32 291.258 4

Activity (Go SEA)

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