UCSF

ZINC43254073

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) 3.91 6.83 -42.08 3 2 1 31 301.907 7
Hi High (pH 8-9.5) 3.91 6.49 -1.56 2 2 0 29 300.899 7
Mid Mid (pH 6-8) 3.91 7.71 -31.93 3 2 1 30 301.907 7
Mid Mid (pH 6-8) 3.91 8.02 -111.9 4 2 2 32 302.915 7

Activity (Go SEA)

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