UCSF

ZINC06886265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 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) -1.77 0.24 -33.06 3 8 0 116 206.165 2
Hi High (pH 8-9.5) -1.77 -0.62 -42.48 2 8 -1 115 205.157 2
Mid Mid (pH 6-8) -1.31 -1.74 -69.7 2 8 -1 120 205.157 2
Mid Mid (pH 6-8) -1.31 -1.93 -106.9 1 8 -2 118 204.149 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.