UCSF

ZINC43254041

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) 3.86 6.93 -42.63 3 2 1 31 301.907 7
Hi High (pH 8-9.5) 3.86 6.61 -0.54 2 2 0 29 300.899 7
Mid Mid (pH 6-8) 3.86 8.21 -31.19 3 2 1 30 301.907 7
Mid Mid (pH 6-8) 3.86 8.49 -111.3 4 2 2 32 302.915 7

Activity (Go SEA)

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